ChemSpider 2D Image | Glycol monoformate | C3H6O3

Glycol monoformate

  • Molecular FormulaC3H6O3
  • Average mass90.078 Da
  • Monoisotopic mass90.031693 Da
  • ChemSpider ID62612

More details:

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

1,2-ethanediol monoformate
1,2-Ethanediol, monoformate [ACD/Index Name]
211-038-4 [EINECS]
2-Hydroxyethyl formate [ACD/IUPAC Name]
2-Hydroxyethylformiat [German] [ACD/IUPAC Name]
Formiate de 2-hydroxyéthyle [French] [ACD/IUPAC Name]
Glycol monoformate
1, 2-Ethanediol, monoformate
628-35-3 [RN]
Ethanediol, monoformate

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

NSC 3770 [DBID]
NSC3770 [DBID]
  • Gas Chromatography
    • Retention Index (Kovats):

      826 (estimated with error: 89) NIST Spectra mainlib_741, replib_62128
    • Retention Index (Normal Alkane):

      1623.9 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 40 C; End T: 200 C; End time: 10 min; Start time: 1 min; CAS no: 628353; Active phase: HP-Wax; Data type: Normal alkane RI; Authors: Gallet, G.; Erlandsson, B.; Albertsson, A.-C.; Karlsson, S., Thermal oxidation of poly(ethylene oxide-propylene oxide-ethylene oxide) triblock copolymer: focus on low molecular weight degradation products, Polym. Degrad. Stab., 77, 2002, 55-66.) NIST Spectra nist ri

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

Density: 1.1±0.1 g/cm3
Boiling Point: 175.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.7 mmHg at 25°C
Enthalpy of Vaporization: 47.9±6.0 kJ/mol
Flash Point: 77.8±15.4 °C
Index of Refraction: 1.405
Molar Refractivity: 19.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.86
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.84
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.84
Polar Surface Area: 47 Å2
Polarizability: 7.7±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 79.2±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) =  -1.15

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  144.76  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -29.60  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.81  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -1.15 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.17E-008  atm-m3/mole
   Group Method:   3.15E-009  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.145E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.15  (KowWin est)
  Log Kaw used:  -6.320  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.170
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0376
   Biowin2 (Non-Linear Model)     :   0.9990
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3003  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.0762  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0479
   Biowin6 (MITI Non-Linear Model):   0.9857
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.1927
 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):  217 Pa (1.63 mm Hg)
  Log Koa (Koawin est  ): 5.170
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.38E-008 
       Octanol/air (Koa) model:  3.63E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.99E-007 
       Mackay model           :  1.1E-006 
       Octanol/air (Koa) model:  2.9E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.9990 E-12 cm3/molecule-sec
      Half-Life =     1.783 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    21.396 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 8.01E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1
      Log Koc:  0.000 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.483E+001  L/mol-sec
  Kb Half-Life at pH 8:      12.987  hours  
  Kb Half-Life at pH 7:       5.411  days   

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -1.15 (estimated)

 Volatilization from Water:
    Henry LC:  3.15E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 1.764E+005  hours   (7350 days)
    Half-Life from Model Lake : 1.925E+006  hours   (8.019E+004 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       0.109           42.8         1000       
   Water     34.6            208          1000       
   Soil      65.2            416          1000       
   Sediment  0.0599          1.87e+003    0          
     Persistence Time: 383 hr


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