ChemSpider 2D Image | decanamine | C10H23N

decanamine

  • Molecular FormulaC10H23N
  • Average mass157.296 Da
  • Monoisotopic mass157.183044 Da
  • ChemSpider ID8576

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-aminodecane
1-Decanamin [German] [ACD/IUPAC Name]
1-Decanamine [ACD/Index Name] [ACD/IUPAC Name]
1-Décanamine [French] [ACD/IUPAC Name]
2016-57-1 [RN]
217-957-7 [EINECS]
Decan-1-amine
decanamine
decyl amine
decylamine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

M9KKQ6ZZG9 [DBID]
30680_FLUKA [DBID]
30692_FLUKA [DBID]
442540_SUPELCO [DBID]
AI3-52306 [DBID]
BRN 1735220 [DBID]
D10 [DBID]
D2404_ALDRICH [DBID]
HSDB 7324 [DBID]
MFCD00008149 [DBID]
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      colourless liquid Oxford University Chemical Safety Data (No longer updated)
    • Stability:

      Stable. Incompatible with strong oxidizing agents,acids, acid chlorides, acid anhydrides. Absorbs carbon dioxide from the air. Oxford University Chemical Safety Data (No longer updated)
    • Toxicity:

      http://ptcl.chem.ox.ac.uk/MSDS/DI/1,2-dicyanobenzene.html Oxford University Chemical Safety Data (No longer updated)
    • Safety:

      Danger Biosynth Q-200933
      GHS05; GHS06; GHS09 Biosynth Q-200933
      H301; H311; H314; H400 Biosynth Q-200933
      IRRITANT Matrix Scientific 099053
      P273; P280; P305+P351+P338; P310 Biosynth Q-200933
      Safety glasses. Good ventilation. Use in a fume cupboard. 1000 mg kg-1 Oxford University Chemical Safety Data (No longer updated)
  • Gas Chromatography
    • Retention Index (Kovats):

      1258 (estimated with error: 83) NIST Spectra mainlib_232416, replib_5420, replib_155095, replib_334270
      1241 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 180 C; CAS no: 2016571; Active phase: SE-30; Carrier gas: N2; Substrate: Chromosorb A AW; Data type: Kovats RI; Authors: Oszczapowicz, J.; Osek, J.; Ciszkowski, K.; Krawczyk, W.; Ostrowski, M., Retention Indices of Dimethylbenzamidines and Benzylideneamines on a Non-Polar Column, J. Chromatogr., 330, 1985, 79-85.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      1239 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; CAS no: 2016571; Active phase: Solgel-1 (SGE); Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: SGE Co., The Importance of Low Bleed Columns for GC-MS; Technical Article, The Importance of Low Bleed Columns for GC-MS, SGE Co., 2008, 2.) NIST Spectra nist ri
      1240 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; CAS no: 2016571; Active phase: Solgel-1 (SGE); Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: SGE Co., The Importance of Low Bleed Columns for GC-MS; Technical Article, The Importance of Low Bleed Columns for GC-MS, SGE Co., 2008, 2.) NIST Spectra nist ri
      1241 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; CAS no: 2016571; Active phase: Solgel-1 (SGE); Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: SGE Co., The Importance of Low Bleed Columns for GC-MS; Technical Article, The Importance of Low Bleed Columns for GC-MS, SGE Co., 2008, 2.) NIST Spectra nist ri
      1246.9 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 20 K/min; Start T: 50 C; End T: 250 C; Start time: 1 min; CAS no: 2016571; Active phase: HP-1; Carrier gas: He; Data type: Normal alkane RI; Authors: Katritzky, A.R.; Ignatchenko, E.S.; Barcock, R.A.; Lobanov, V.S.; Karelson, M., Prediction of gas chromatographic retention times and response factors using a general quantitative structure -- property relationship treatment, Anal. Chem., 66, 1994, 1799-1807.) NIST Spectra nist ri
      1232 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 80 C; End T: 260 C; CAS no: 2016571; Active phase: Ultra-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1(2), 1991, 333-358.) NIST Spectra nist ri
    • Retention Index (Linear):

      1236 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.53 mm; Column length: 15 m; Column type: Capillary; Description: 40C(3min)=>8C/min=>200(1min)=>5C/min=>300C(25min); CAS no: 2016571; Active phase: DB-1; Carrier gas: He; Phase thickness: 1 um; Data type: Linear RI; Authors: Peng, C.T., Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index, J. Chromatogr. A, 903, 2000, 117-143.) NIST Spectra nist ri
      1237 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 2016571; Active phase: Methyl Silicone; Data type: Linear RI; Authors: Peng, C.T.; Yang, Z.C.; Maltby, D., Prediction of retention indexes. III. Silylated derivatives of polar compounds, J. Chromatogr., 586, 1991, 113-129.) NIST Spectra nist ri
      1240 (Program type: Complex; Column... (show more) class: Standard non-polar; Column length: 3.05 m; Column type: Packed; Description: 40C(5min)=>10C/min =>200C or 250C (60min); CAS no: 2016571; Active phase: SE-30; Substrate: Supelcoport; Chromosorb; Data type: Linear RI; Authors: Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 436, 1988, 137-172.) NIST Spectra nist ri
      1249 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.05 mm; Column length: 20 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 180 C; Start time: 2 min; CAS no: 2016571; Active phase: SE-54; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Woolley, C.L.; Markides, K.E.; Lee, M.L.; Bartle, K.D., Deactivation of small diameter fused silica capillary columns with organosilicon hydrides, J. Hi. Res. Chromatogr. & Chromatogr. Comm., 9, 1986, 506-514.) NIST Spectra nist ri
      1252 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.05 mm; Column length: 20 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 180 C; Start time: 2 min; CAS no: 2016571; Active phase: SE-54; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Woolley, C.L.; Markides, K.E.; Lee, M.L.; Bartle, K.D., Deactivation of small diameter fused silica capillary columns with organosilicon hydrides, J. Hi. Res. Chromatogr. & Chromatogr. Comm., 9, 1986, 506-514.) NIST Spectra nist ri
      1254 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.05 mm; Column length: 20 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 180 C; Start time: 2 min; CAS no: 2016571; Active phase: SE-54; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Woolley, C.L.; Markides, K.E.; Lee, M.L.; Bartle, K.D., Deactivation of small diameter fused silica capillary columns with organosilicon hydrides, J. Hi. Res. Chromatogr. & Chromatogr. Comm., 9, 1986, 506-514.) NIST Spectra nist ri
      1255 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.05 mm; Column length: 20 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 180 C; Start time: 2 min; CAS no: 2016571; Active phase: SE-54; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Woolley, C.L.; Markides, K.E.; Lee, M.L.; Bartle, K.D., Deactivation of small diameter fused silica capillary columns with organosilicon hydrides, J. Hi. Res. Chromatogr. & Chromatogr. Comm., 9, 1986, 506-514.) NIST Spectra nist ri
      1256 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.05 mm; Column length: 20 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 180 C; Start time: 2 min; CAS no: 2016571; Active phase: SE-54; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Woolley, C.L.; Markides, K.E.; Lee, M.L.; Bartle, K.D., Deactivation of small diameter fused silica capillary columns with organosilicon hydrides, J. Hi. Res. Chromatogr. & Chromatogr. Comm., 9, 1986, 506-514.) NIST Spectra nist ri
      1259 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.05 mm; Column length: 20 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 180 C; Start time: 2 min; CAS no: 2016571; Active phase: SE-54; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Woolley, C.L.; Markides, K.E.; Lee, M.L.; Bartle, K.D., Deactivation of small diameter fused silica capillary columns with organosilicon hydrides, J. Hi. Res. Chromatogr. & Chromatogr. Comm., 9, 1986, 506-514.) NIST Spectra nist ri
      1265 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.05 mm; Column length: 20 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 180 C; Start time: 2 min; CAS no: 2016571; Active phase: SE-54; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Woolley, C.L.; Markides, K.E.; Lee, M.L.; Bartle, K.D., Deactivation of small diameter fused silica capillary columns with organosilicon hydrides, J. Hi. Res. Chromatogr. & Chromatogr. Comm., 9, 1986, 506-514.) NIST Spectra nist ri
      1517 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.53 mm; Column length: 15 m; Column type: Capillary; Description: 40C(3min)=>8C/min=>200(1min)=>5C/min=>300C(25min); Heat rate: 5 K/min; Start T: 40 C; End T: 220 C; End time: 30 min; Start time: 3 min; CAS no: 2016571; Active phase: HP-Wax; Carrier gas: He; Phase thickness: 1 um; Data type: Linear RI; Authors: Peng, C.T., Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index, J. Chromatogr. A, 903, 2000, 117-143.) NIST Spectra nist ri
      1522 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column length: 3.05 m; Column type: Packed; Heat rate: 8 K/min; Start T: 40 C; End T: 200 C; End time: 60 min; Start time: 4 min; CAS no: 2016571; Active phase: Carbowax 20M; Substrate: Supelcoport; Data type: Linear RI; Authors: Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 586, 1991, 85-112.) NIST Spectra nist ri

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

Density: 0.8±0.1 g/cm3
Boiling Point: 221.4±3.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.8±3.0 kJ/mol
Flash Point: 85.6±0.0 °C
Index of Refraction: 1.439
Molar Refractivity: 51.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.71
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.38
Polar Surface Area: 26 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 29.3±3.0 dyne/cm
Molar Volume: 197.3±3.0 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) =  3.78

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  218.32  (Adapted Stein & Brown method)
    Melting Pt (deg C):  13.19  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.128  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  17 deg C
    BP  (exp database):  220.5 deg C
    VP  (exp database):  1.00E-01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  422.9
       log Kow used: 3.78 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  550 mg/L (25 deg C)
        Exper. Ref:  CHRISTIE,AO & CRISP,DJ (1967)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  180.76 mg/L
    Wat Sol (Exper. database match) =  550.00
       Exper. Ref:  CHRISTIE,AO & CRISP,DJ (1967)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.70E-005  atm-m3/mole
   Group Method:   1.38E-004  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  6.265E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.78  (KowWin est)
  Log Kaw used:  -2.402  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.182
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9349
   Biowin2 (Non-Linear Model)     :   0.9765
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1743  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9331  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7226
   Biowin6 (MITI Non-Linear Model):   0.8299
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8500
 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):  13.3 Pa (0.1 mm Hg)
  Log Koa (Koawin est  ): 6.182
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.25E-007 
       Octanol/air (Koa) model:  3.73E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.13E-006 
       Mackay model           :  1.8E-005 
       Octanol/air (Koa) model:  2.99E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  42.8915 E-12 cm3/molecule-sec
      Half-Life =     0.249 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.992 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.31E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2389
      Log Koc:  3.378 

 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 = 2.212 (BCF = 162.8)
       log Kow used: 3.78 (estimated)

 Volatilization from Water:
    Henry LC:  0.000138 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      6.601  hours
    Half-Life from Model Lake :      177.2  hours   (7.382 days)

 Removal In Wastewater Treatment:
    Total removal:              25.67  percent
    Total biodegradation:        0.24  percent
    Total sludge adsorption:    20.30  percent
    Total to Air:                5.13  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.75            5.99         1000       
   Water     19.9            360          1000       
   Soil      77.8            720          1000       
   Sediment  1.58            3.24e+003    0          
     Persistence Time: 439 hr




                    

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