ChemSpider 2D Image | Tetraethyl pyrophosphate | C8H20O7P2

Tetraethyl pyrophosphate

  • Molecular FormulaC8H20O7P2
  • Average mass290.188 Da
  • Monoisotopic mass290.068420 Da
  • ChemSpider ID7585

More details:



Featured data source



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

107-49-3 [RN]
203-495-3 [EINECS]
28QKT80KX2
Bladan base
Diphosphate de tétraéthyle [French] [ACD/IUPAC Name]
Diphosphoric acid, tetraethyl ester [ACD/Index Name]
TEP
TEPP
Tetraethyl diphosphate [ACD/IUPAC Name]
Tetraethyl pyrophosphate [Wiki]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ENT 18771 [DBID]
36567_RIEDEL [DBID]
AI3-10622 [DBID]
AIDS138775 [DBID]
AIDS-138775 [DBID]
BRN 1714017 [DBID]
Caswell No. 838 [DBID]
EA 1285 [DBID]
ENT 18,771 [DBID]
EPA Pesticide Chemical Code 079601 [DBID]
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Colorless to amber liquid with a faint, fruity odor. [insecticide] [Note: A solid below 32F.] NIOSH UX6825000
    • First-Aid:

      Eye: Irrigate immediately Skin: Water flush immediately Breathing: Respiratory support Swallow: Medical attention immediately NIOSH UX6825000
    • Exposure Routes:

      inhalation, skin absorption, ingestion, skin and/or eye contact NIOSH UX6825000
    • Symptoms:

      Eye pain, blurred vision, lacrimation (discharge of tears); rhinorrhea (discharge of thin mucus); headache, chest tightness, cyanosis; anorexia, nausea, vomiting, diarrhea; lassitude (weakness, exhaus tion), twitching, paralysis, Cheyne-Stokes respiration, convulsions; low blood pressure, cardiac irregularities; sweating NIOSH UX6825000
    • Target Organs:

      Eyes, respiratory system, central nervous system, cardiovascular system, gastrointestinal tract, blood cholinesterase NIOSH UX6825000
    • Incompatibility:

      Strong oxidizers, alkalis, water [Note: Hydrolyzes quickly in water to form pyrophosphoric acid.] NIOSH UX6825000
    • Personal Protection:

      Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet or contaminated Change: No recommendation Provide: Eyewash, Quick drench NIOSH UX6825000
    • Exposure Limits:

      NIOSH REL : TWA 0.05 mg/m 3 [skin] OSHA PEL : TWA 0.05 mg/m 3 [skin] NIOSH UX6825000
  • Gas Chromatography
    • Retention Index (Normal Alkane):

      1549.9 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.2 mm; Column length: 25 m; Column type: Capillary; Description: 100C(1min) => 30C/min=> 150C(2min) => 3C/min=> 205C => 10C/min =>260C(29min); CAS no: 107493; Active phase: SE-54; Phase thickness: 0.33 um; Data type: Normal alkane RI; Authors: Stan, H.-J., Pesticide residue analysis in foodstuffs applying capillary gas chromatography with mass spectrometric detection State-of-the-art use of modified DFG-multimethod S19 and automated data evaluation, J. Chromatogr. A, 892, 2000, 347-377.) NIST Spectra nist ri
      1579.2 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.53 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 125 C; End T: 250 C; End time: 10 min; Start time: 10 min; CAS no: 107493; Active phase: RTX-5; Carrier gas: He; Phase thickness: 0.5 um; Data type: Normal alkane RI; Authors: Restek, Restek International, 1999 Product Guide, 1(1), 1999, 578-591, In original 578-591.) NIST Spectra nist ri

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

Density: 1.2±0.1 g/cm3
Boiling Point: 260.9±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.8±3.0 kJ/mol
Flash Point: 125.6±39.1 °C
Index of Refraction: 1.425
Molar Refractivity: 61.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 2.12
ACD/KOC (pH 5.5): 59.51
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 2.12
ACD/KOC (pH 7.4): 59.51
Polar Surface Area: 100 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 240.7±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) =  0.45

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  356.04  (Adapted Stein & Brown method)
    Melting Pt (deg C):  84.62  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.55E-005  (Modified Grain method)
    BP  (exp database):  138 @ 2.3 mm Hg deg C
    VP  (exp database):  2.60E-04 mm Hg at 25 deg C
    Subcooled liquid VP: 0.00101 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5778
       log Kow used: 0.45 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+006 mg/L ( deg C)
        Exper. Ref:  MERCK INDEX (1996)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
    Wat Sol (Exper. database match) =  1000000.00
       Exper. Ref:  MERCK INDEX (1996)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Esters
       Esters (phosphate)

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.24E-010  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.685E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.45  (KowWin est)
  Log Kaw used:  -8.038  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.488
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2373
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8653  (weeks       )
   Biowin4 (Primary Survey Model) :   4.3598  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3575
   Biowin6 (MITI Non-Linear Model):   0.1424
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.6758
 Ready Biodegradability Prediction:   NO

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

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.135 Pa (0.00101 mm Hg)
  Log Koa (Koawin est  ): 8.488
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.23E-005 
       Octanol/air (Koa) model:  7.55E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000804 
       Mackay model           :  0.00178 
       Octanol/air (Koa) model:  0.006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  77.2571 E-12 cm3/molecule-sec
      Half-Life =     0.138 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.661 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00129 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1421
      Log Koc:  3.152 

 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: 0.45 (estimated)

 Volatilization from Water:
    Henry LC:  2.24E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.453E+006  hours   (1.855E+005 days)
    Half-Life from Model Lake : 4.857E+007  hours   (2.024E+006 days)

 Removal In Wastewater Treatment:
    Total removal:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  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       0.00518         3.32         1000       
   Water     37.7            360          1000       
   Soil      62.3            720          1000       
   Sediment  0.0707          3.24e+003    0          
     Persistence Time: 584 hr




                    

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