ChemSpider 2D Image | L-(+)-glutamine | C5H10N2O3

L-(+)-glutamine

  • Molecular FormulaC5H10N2O3
  • Average mass146.145 Da
  • Monoisotopic mass146.069138 Da
  • ChemSpider ID5746
  • defined stereocentres - 1 of 1 defined stereocentres


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L-(+)-glutamine
(2S)-2-amino-4-carbamoylbutanoic acid
(S)-(+)-Glutamine
(S)-2,5-diamino-5-oxopentanoic acid
2,5-Diamino-5-oxopentanoic acid, (S)-
200-292-1 [EINECS]
2-Aminoglutaramic acid, L-
56-85-9 [RN]
5-Hydroxy-5-imino-L-norvalin [German] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

. [DBID]
49410_FLUKA [DBID]
49419_FLUKA [DBID]
AI3-24392 [DBID]
bmse000038 [DBID]
BRN 1723797 [DBID]
C00064 [DBID]
C00819 [DBID]
CHEBI:17061 [DBID]
CHEBI:18050 [DBID]
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  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      White crystals or crystalline powder; odourless Food and Agriculture Organization of the United Nations L-Glutamine
      white powder OU Chemical Safety Data (No longer updated) More details
    • Stability:

      Moisture and light sensitive. Incompatible with moisture, strong oxidizing agents. OU Chemical Safety Data (No longer updated) More details
    • Toxicity:

      Organic Compound; Amine; Drug; Food Toxin; Dietary Supplement; Micronutrient; Metabolite; Nutraceutical; Household Toxin; Animal Toxin; Natural Compound; Supplement; Non-Essential Amino Acid Toxin, Toxin-Target Database T3D4319
      ORL-RAT LD50 7500 mg kg-1 OU Chemical Safety Data (No longer updated) More details
    • Safety:

      A16AA03 Wikidata Q181619
      GHS07 Biosynth Q-100459
      H315; H319; H335 Biosynth Q-100459
      Minimize contact. OU Chemical Safety Data (No longer updated) More details
      P261; P280; P302+P352; P304+P340; P305+P351+P338; P312 Biosynth Q-100459
      Warning Biosynth Q-100459
      WARNING: Irritates lungs, eyes, skin Alfa Aesar A14201
      Xi Abblis Chemicals AB1002635
    • Target Organs:

      CTP synthase antagonist TargetMol T0326L
    • Chemical Class:

      An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of <stereo>L</stereo>-glutamine; major species at pH 7.3. ChEBI CHEBI:18050, CHEBI:58359
      An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-glutamine; major species at pH 7.3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:58359
      An optically active form of glutamine having <stereo>L</stereo>-configuration. ChEBI CHEBI:18050, CHEBI:58359
      An optically active form of glutamine having L-configuration. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:18050
    • Compound Source:

      2 an oxidized ferredoxin [iron-sulfur] cluster + 2 L-glutamate <- 2-oxoglutarate + L-glutamine + 2 a reduced ferredoxin [iron-sulfur] cluster + 2 H+ PlantCyc GLN
      2 ATP + L-glutamine + hydrogencarbonate + H2O -> L-glutamate + 2 ADP + carbamoyl phosphate + phosphate + 2 H+ PlantCyc GLN
      2 ATP + L-glutamine + hydrogencarbonate + H2O -> L-glutamate + carbamoyl phosphate + 2 ADP + phosphate + 2 H+ PlantCyc GLN
      2 L-glutamate + NADP+ <- L-glutamine + 2-oxoglutarate + NADPH + H+ PlantCyc GLN
      2-oxoglutarate + L-glutamine + 2 a reduced ferredoxin [iron-sulfur] cluster + 2 H+ -> 2 an oxidized ferredoxin [iron-sulfur] cluster + 2 L-glutamate PlantCyc GLN
      2-oxoglutarate + L-glutamine + 2 a reduced ferredoxin [iron-sulfur] cluster + 2 H+ -> 2 L-glutamate + 2 an oxidized ferredoxin [iron-sulfur] cluster PlantCyc GLN
      4-aminobenzoate biosynthesis PlantCyc GLN
      5-aminoimidazole ribonucleotide biosynthesis I PlantCyc GLN
      5-aminoimidazole ribonucleotide biosynthesis II PlantCyc GLN
      acridone alkaloid biosynthesis PlantCyc GLN
      Aegilops tauschii PlantCyc GLN
      aldehydo-D-ribose 5-phosphate + D-glyceraldehyde 3-phosphate + L-glutamine -> pyridoxal 5'-phosphate + L-glutamate + phosphate + 3 H2O + H+ PlantCyc GLN
      aldehydo-D-ribose 5-phosphate + D-glyceraldehyde 3-phosphate + L-glutamine -> pyridoxal 5'-phosphate + L-glutamate + phosphate + H+ + 3 H2O PlantCyc GLN
      Amaranthus hypochondriacus PlantCyc GLN
      Amborella trichopoda PlantCyc GLN
      ammonia assimilation cycle I PlantCyc GLN
      ammonia assimilation cycle II PlantCyc GLN
      Anacardium occidentale PlantCyc GLN
      Ananas comosus PlantCyc GLN
      Aquilegia coerulea PlantCyc GLN
      Arabidopsis halleri PlantCyc GLN
      Arabidopsis lyrata PlantCyc GLN
      Arabidopsis thaliana col PlantCyc GLN
      Asparagus officinalis PlantCyc GLN
      ATP + L-glutamine + XMP + XMP + L-glutamine + ATP + H2O + H2O -> AMP + GMP + L-glutamate + L-glutamate + GMP + AMP + diphosphate + diphosphate + 2 H+ + 2 H+ PlantCyc GLN
      ATP + UTP + L-glutamine + H2O -> ADP + CTP + L-glutamate + phosphate + 2 H+ PlantCyc GLN
      Beta vulgaris subsp. vulgaris PlantCyc GLN
      Boechera stricta PlantCyc GLN
      Brachypodium distachyon PlantCyc GLN
      Brassica napus PlantCyc GLN
      Brassica oleracea var. capitata PlantCyc GLN
      Brassica oleracea var. oleracea PlantCyc GLN
      Brassica rapa FPsc PlantCyc GLN
      Brassica rapa subsp. pekinensis PlantCyc GLN
      Calotropis gigantea PlantCyc GLN
      Camptotheca acuminata PlantCyc GLN
      Cannabis sativa PlantCyc GLN
      Capsella grandiflora PlantCyc GLN
      Capsella rubella PlantCyc GLN
      Capsicum annuum PlantCyc GLN
      Carica papaya PlantCyc GLN
      Catharanthus roseus PlantCyc GLN
      Chenopodium quinoa PlantCyc GLN
      Chlamydomonas reinhardtii PlantCyc GLN
      Chromochloris zofingiensis PlantCyc GLN
      Cicer arietinum PlantCyc GLN
      Citrus clementina PlantCyc GLN
      Citrus sinensis PlantCyc GLN
      cobyrinate + 2 L-glutamine + 2 ATP + 2 H2O -> cob(II)yrinate a,c-diamide + 2 L-glutamate + 2 ADP + 2 phosphate + 2 H+ PlantCyc GLN
      Coccomyxa subellipsoidea C-169 PlantCyc GLN
      Corchorus capsularis PlantCyc GLN
      Cucumis sativus PlantCyc GLN
      Daucus carota subsp. sativus PlantCyc GLN
      Dianthus caryophyllus PlantCyc GLN
      Dioscorea rotundata PlantCyc GLN
      Eucalyptus grandis PlantCyc GLN
      Eutrema salsugineum PlantCyc GLN
      Fragaria vesca subsp. vesca PlantCyc GLN
      glutamate-glutamine shuttle PlantCyc GLN
      glutaminyl-tRNAgln biosynthesis via transamidation PlantCyc GLN
      Glycine max PlantCyc GLN
      Gossypium raimondii PlantCyc GLN
      guanosine ribonucleotides de novo biosynthesis PlantCyc GLN
      Helianthus annuus PlantCyc GLN
      Hordeum vulgare subsp. vulgare PlantCyc GLN
      Humulus lupulus var. lupulus PlantCyc GLN
      indole-3-acetate inactivation VIII PlantCyc GLN
      Inorganic Nitrogen Assimilation PlantCyc GLN
      jasmonoyl-amino acid conjugates biosynthesis II PlantCyc GLN
      Kalanchoe fedtschenkoi PlantCyc GLN
      Kalanchoe laxiflora PlantCyc GLN
      L-arginine biosynthesis I (via L-ornithine) PlantCyc GLN
      L-arginine biosynthesis II (acetyl cycle) PlantCyc GLN
      L-asparagine biosynthesis I PlantCyc GLN
      L-asparagine biosynthesis III (tRNA-dependent) PlantCyc GLN
      L-citrulline biosynthesis PlantCyc GLN
      Leersia perrieri PlantCyc GLN
      L-glutamate biosynthesis I PlantCyc GLN
      L-glutamate biosynthesis IV PlantCyc GLN
      L-glutamate biosynthesis V PlantCyc GLN
      L-glutamine + 2-oxoglutarate + NADPH + H+ -> 2 L-glutamate + NADP+ PlantCyc GLN
      L-glutamine + L-aspartate + ATP + H2O -> L-glutamate + L-asparagine + AMP + diphosphate + H+ PlantCyc GLN
      L-glutamine biosynthesis I PlantCyc GLN
      L-glutamine biosynthesis III PlantCyc GLN
      L-glutamine degradation I PlantCyc GLN
      L-histidine biosynthesis PlantCyc GLN
      Linum usitatissimum PlantCyc GLN
      Lotus japonicus PlantCyc GLN
      L-tryptophan biosynthesis PlantCyc GLN
      Malus domestica PlantCyc GLN
      Manihot esculenta PlantCyc GLN
      Marchantia polymorpha PlantCyc GLN
      Medicago truncatula PlantCyc GLN
      Micromonas commoda RCC299 PlantCyc GLN
      Micromonas pusilla CCMP1545 PlantCyc GLN
      Mimulus guttatus PlantCyc GLN
      Miscanthus sinensis PlantCyc GLN
      Musa acuminata PlantCyc GLN
      NAD biosynthesis from 2-amino-3-carboxymuconate semialdehyde PlantCyc GLN
      NAD biosynthesis I (from aspartate) PlantCyc GLN
      NAD salvage pathway II PlantCyc GLN
      Nicotiana tabacum PlantCyc GLN
      nitrate reduction II (assimilatory) PlantCyc GLN
      Olea europaea var. sylvestris PlantCyc GLN
      Organic Nitrogen Assimilation PlantCyc GLN
      ornithine-citrulline shuttle PlantCyc GLN
      Oropetium thomaeum PlantCyc GLN
      Oryza brachyantha PlantCyc GLN
      Oryza glaberrima PlantCyc GLN
      Oryza punctata PlantCyc GLN
      Oryza rufipogon PlantCyc GLN
      Oryza sativa Japonica Group PlantCyc GLN
      Ostreococcus lucimarinus PlantCyc GLN
      Panicum hallii PlantCyc GLN
      Panicum virgatum PlantCyc GLN
      Petunia axillaris PlantCyc GLN
      Phaseolus vulgaris PlantCyc GLN
      phosphoribulosylformimino-AICAR-phosphate + L-glutamine -> L-glutamate + D-erythro-imidazole-glycerol-phosphate + 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide + H+ PlantCyc GLN
      Physcomitrella patens PlantCyc GLN
      Populus trichocarpa PlantCyc GLN
      Prunus persica PlantCyc GLN
      pyridine nucleotide cycling (plants) PlantCyc GLN
      pyridoxal 5'-phosphate biosynthesis II PlantCyc GLN
      pyrimidine ribonucleotides interconversion PlantCyc GLN
      Ricinus communis PlantCyc GLN
      Rosa chinensis PlantCyc GLN
      Rosa multiflora PlantCyc GLN
      Salvia miltiorrhiza PlantCyc GLN
      Selaginella moellendorffii PlantCyc GLN
      Setaria italica PlantCyc GLN
      Setaria viridis PlantCyc GLN
      S-methyl-5-thio-alpha-D-ribose 1-phosphate degradation PlantCyc GLN
      Solanum lycopersicum PlantCyc GLN
      Solanum melongena PlantCyc GLN
      Solanum pennellii PlantCyc GLN
      Solanum tuberosum PlantCyc GLN
      Sorghum bicolor PlantCyc GLN
      Sphagnum fallax PlantCyc GLN
      Spinacia oleracea PlantCyc GLN
      Spirodela polyrhiza PlantCyc GLN
      tetrahydrofolate biosynthesis II PlantCyc GLN
      Thellungiella parvula PlantCyc GLN
      Theobroma cacao PlantCyc GLN
      Trifolium pratense PlantCyc GLN
      Triticum aestivum PlantCyc GLN
      Triticum urartu PlantCyc GLN
      UDP-N-acetyl-D-glucosamine biosynthesis II PlantCyc GLN
      UMP biosynthesis I PlantCyc GLN
      UMP biosynthesis II PlantCyc GLN
      UMP biosynthesis III PlantCyc GLN
      UTP and CTP de novo biosynthesis PlantCyc GLN
      UTP and CTP dephosphorylation I PlantCyc GLN
      UTP and CTP dephosphorylation II PlantCyc GLN
      Vitis vinifera PlantCyc GLN
      Volvox carteri PlantCyc GLN
      XMP + L-glutamine + ATP + H2O -> L-glutamate + GMP + AMP + diphosphate + 2 H+ PlantCyc GLN
      Zea mays subsp. mays PlantCyc GLN
      Zostera marina PlantCyc GLN
    • Bio Activity:

      (indol-3-yl)acetate + L-glutamine + ATP -> indole-3-acetyl-L-glutamine + AMP + diphosphate + H+ PlantCyc GLN
      2 an oxidized ferredoxin [iron-sulfur] cluster + 2 L-glutamate <- 2-oxoglutarate + L-glutamine + 2 a reduced ferredoxin [iron-sulfur] cluster + 2 H+ PlantCyc GLN
      2 ATP + L-glutamine + hydrogencarbonate + H2O -> L-glutamate + 2 ADP + carbamoyl phosphate + phosphate + 2 H+ PlantCyc GLN
      2 ATP + L-glutamine + hydrogencarbonate + H2O -> L-glutamate + carbamoyl phosphate + 2 ADP + phosphate + 2 H+ PlantCyc GLN
      2 L-glutamate + NAD+ <- 2-oxoglutarate + L-glutamine + NADH + H+ PlantCyc GLN
      2-oxoglutarate + L-glutamine + 2 a reduced ferredoxin [iron-sulfur] cluster + 2 H+ -> 2 an oxidized ferredoxin [iron-sulfur] cluster + 2 L-glutamate PlantCyc GLN
      2-oxoglutarate + L-glutamine + 2 a reduced ferredoxin [iron-sulfur] cluster + 2 H+ -> 2 L-glutamate + 2 an oxidized ferredoxin [iron-sulfur] cluster PlantCyc GLN
      2-oxoglutarate + L-glutamine + NADH + H+ -> 2 L-glutamate + NAD+ PlantCyc GLN
      5-phospho-alpha-D-ribose 1-diphosphate + L-glutamine + H2O -> 5-phospho-beta-D-ribosylamine + L-glutamate + diphosphate PlantCyc GLN
      a jasmonate + L-glutamine + ATP -> a jasmonoyl-glutamine + AMP + diphosphate + H+ PlantCyc GLN
      aldehydo-D-ribose 5-phosphate + D-glyceraldehyde 3-phosphate + L-glutamine -> pyridoxal 5'-phosphate + L-glutamate + phosphate + 3 H2O + H+ PlantCyc GLN
      aldehydo-D-ribose 5-phosphate + D-glyceraldehyde 3-phosphate + L-glutamine -> pyridoxal 5'-phosphate + L-glutamate + phosphate + H+ + 3 H2O PlantCyc GLN
      Amino Acids & Building Blocks TargetMol T0326L
      ammonium + L-glutamate + ATP -> L-glutamine + ADP + phosphate + H+ PlantCyc GLN
      ATP + an L-aspartyl-[tRNAAsn] + L-glutamine + L-glutamine + an L-aspartyl-[tRNAAsn] + ATP + H2O + H2O -> ADP + an L-asparaginyl-[tRNAAsn] + L-glutamate + L-glutamate + an L-asparaginyl-[tRNAAsn] + ADP + phosphate + phosphate + H+ + H+ PlantCyc GLN
      ATP + L-glutamine + XMP + XMP + L-glutamine + ATP + H2O + H2O -> AMP + GMP + L-glutamate + L-glutamate + GMP + AMP + diphosphate + diphosphate + 2 H+ + 2 H+ PlantCyc GLN
      ATP + N2-formyl-N1-(5-phospho-beta-D-ribosyl)glycinamide + L-glutamine + H2O -> ADP + L-glutamate + L-glutamate + ADP + 2-(formamido)-N1-(5-phospho-beta-D-ribosyl)acetamidine + phosphate + phosphate + H+ + H+ PlantCyc GLN
      ATP + N2-formyl-N1-(5-phospho-beta-D-ribosyl)glycinamide + L-glutamine + H2O -> L-glutamate + ADP + 2-(formamido)-N1-(5-phospho-beta-D-ribosyl)acetamidine + phosphate + H+ PlantCyc GLN
      ATP + nicotinate adenine dinucleotide + L-glutamine + H2O -> L-glutamate + AMP + NAD+ + diphosphate + H+ PlantCyc GLN
      ATP + UTP + L-glutamine + H2O -> ADP + CTP + L-glutamate + phosphate + 2 H+ PlantCyc GLN
      beta-D-fructofuranose 6-phosphate + L-glutamine <--> D-glucosamine 6-phosphate + L-glutamate PlantCyc GLN
      chorismate + L-glutamine -> 4-amino-4-deoxychorismate + L-glutamate PlantCyc GLN
      chorismate + L-glutamine -> anthranilate + L-glutamate + pyruvate + H+ PlantCyc GLN
      cob(II)yrinate c-monoamide + L-glutamine + ATP + H2O -> cob(II)yrinate a,c-diamide + L-glutamate + ADP + phosphate + H+ PlantCyc GLN
      cobyrinate + L-glutamine + ATP + H2O -> cob(II)yrinate c-monoamide + L-glutamate + ADP + phosphate + H+ PlantCyc GLN
      CTP synthase 1 TargetMol T0326L
      GPCR/G protein MedChem Express HY-N0390
      GPCR/G protein; MedChem Express HY-N0390
      L-glutamate + 5-phospho-beta-D-ribosylamine + L-glutamate + diphosphate + diphosphate <- L-glutamine + 5-phospho-alpha-D-ribose 1-diphosphate + 5-phospho-alpha-D-ribose 1-diphosphate + L-glutamine + H2O + H2O PlantCyc GLN
      L-glutamine + 2-oxoglutarate + NADH + H+ -> 2 L-glutamate + NAD+ PlantCyc GLN
      L-glutamine + 2-oxoglutarate + NADPH + H+ -> 2 L-glutamate + NADP+ PlantCyc GLN
      L-glutamine + an L-aspartyl-[tRNAAsn] + ATP + H2O -> L-glutamate + an L-asparaginyl-[tRNAAsn] + ADP + phosphate + H+ PlantCyc GLN
      L-glutamine + an L-glutamyl-[tRNAGln] + ATP + H2O -> L-glutamate + an L-glutaminyl-[tRNAGln] + ADP + phosphate + H+ PlantCyc GLN
      L-glutamine + chorismate -> 4-amino-4-deoxychorismate + L-glutamate PlantCyc GLN
      L-glutamine + H2O -> L-glutamate + ammonium PlantCyc GLN
      L-glutamine + L-aspartate + ATP + H2O -> L-glutamate + L-asparagine + AMP + diphosphate + H+ PlantCyc GLN
      L-Glutamine is a non-essential amino acid present abundantly throughout the body and is involved in gastrointestinal disorders. MedChem Express
      L-Glutamine is a non-essential amino acid present abundantly throughout the body and is involved in gastrointestinal disorders.; Target: mGluR; Glutamine (abbreviated as Gln or Q) is one of the 20 amino acids encoded by the standard genetic code. MedChem Express HY-N0390
      L-glutamine[cytosol] -> L-glutamine[chloroplast stroma] PlantCyc GLN
      L-glutamine[mitochondrial lumen] -> L-glutamine[cytosol] PlantCyc GLN
      L-methionine + 2-oxoglutaramate <--> 4-(methylsulfanyl)-2-oxobutanoate + L-glutamine PlantCyc GLN
      mGluR MedChem Express HY-N0390
      phosphoribulosylformimino-AICAR-phosphate + L-glutamine -> L-glutamate + D-erythro-imidazole-glycerol-phosphate + 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide + H+ PlantCyc GLN
      XMP + L-glutamine + ATP + H2O -> L-glutamate + GMP + AMP + diphosphate + 2 H+ PlantCyc GLN

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 353.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.3±6.0 kJ/mol
Flash Point: 167.6±30.7 °C
Index of Refraction: 1.564
Molar Refractivity: 32.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.28
ACD/LogD (pH 5.5): -3.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 12.7±0.5 10-24cm3
Surface Tension: 64.7±7.0 dyne/cm
Molar Volume: 98.3±7.0 cm3

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -4.49
    Log Kow (Exper. database match) =  -3.64
       Exper. Ref:  Chmelik,J et al. (1991)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  388.35  (Adapted Stein & Brown method)
    Melting Pt (deg C):  288.46  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.35E-007  (Modified Grain method)
    MP  (exp database):  185.5 dec deg C
    Subcooled liquid VP: 1.59E-005 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.221e+004
       log Kow used: -3.64 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  4.13e+004 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
    Wat Sol (Exper. database match) =  41300.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines-acid

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.01E-016  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.526E-012 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -3.64  (exp database)
  Log Kaw used:  -13.910  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.270
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1146
   Biowin2 (Non-Linear Model)     :   0.9954
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2110  (weeks       )
   Biowin4 (Primary Survey Model) :   4.2712  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6666
   Biowin6 (MITI Non-Linear Model):   0.6903
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5184
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.00212 Pa (1.59E-005 mm Hg)
  Log Koa (Koawin est  ): 10.270
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00142 
       Octanol/air (Koa) model:  0.00457 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0486 
       Mackay model           :  0.102 
       Octanol/air (Koa) model:  0.268 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  45.5058 E-12 cm3/molecule-sec
      Half-Life =     0.235 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.821 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0752 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  10
      Log Koc:  1.000 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -3.64 (expkow database)

 Volatilization from Water:
    Henry LC:  3.01E-016 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.352E+012  hours   (9.798E+010 days)
    Half-Life from Model Lake : 2.565E+013  hours   (1.069E+012 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.14e-009       5.64         1000       
   Water     39              360          1000       
   Soil      60.9            720          1000       
   Sediment  0.0713          3.24e+003    0          
     Persistence Time: 579 hr




                    

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