Found 1 result

Search term: WWLJGQOZMKGWOW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Ethoxyethyl 2-hydroxypropanoate | C7H14O4

2-Ethoxyethyl 2-hydroxypropanoate

  • Molecular FormulaC7H14O4
  • Average mass162.184 Da
  • Monoisotopic mass162.089203 Da
  • ChemSpider ID86058

More details:

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

2-Ethoxyethyl 2-hydroxypropanoate [ACD/IUPAC Name]
2-Ethoxyethyl-2-hydroxypropanoat [German] [ACD/IUPAC Name]
2-Hydroxypropanoate de 2-éthoxyéthyle [French] [ACD/IUPAC Name]
617-74-3 [RN]
Propanoic acid, 2-hydroxy-, 2-ethoxyethyl ester [ACD/Index Name]
210-525-9 [EINECS]
2-ethoxyethyl lactate
6298-27-7 [RN]

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

NSC4132 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 241.0±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.5±6.0 kJ/mol
Flash Point: 91.5±13.9 °C
Index of Refraction: 1.433
Molar Refractivity: 39.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.45
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.85
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.85
Polar Surface Area: 56 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 151.8±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) =  -0.46

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  227.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  12.38  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.014  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.32e+005
       log Kow used: -0.46 (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:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.49E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.616E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.46  (KowWin est)
  Log Kaw used:  -4.514  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.054
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6559
   Biowin2 (Non-Linear Model)     :   0.9223
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1323  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9624  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8344
   Biowin6 (MITI Non-Linear Model):   0.9179
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6364
 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):  1.73 Pa (0.013 mm Hg)
  Log Koa (Koawin est  ): 4.054
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.73E-006 
       Octanol/air (Koa) model:  2.78E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.25E-005 
       Mackay model           :  0.000138 
       Octanol/air (Koa) model:  2.22E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  17.4315 E-12 cm3/molecule-sec
      Half-Life =     0.614 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.363 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0001 (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]:
  Total Kb for pH > 8 at 25 deg C :  2.434E+000  L/mol-sec
  Kb Half-Life at pH 8:       3.296  days   
  Kb Half-Life at pH 7:      32.960  days   

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -0.46 (estimated)

 Volatilization from Water:
    Henry LC:  7.49E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      996.8  hours   (41.53 days)
    Half-Life from Model Lake : 1.098E+004  hours   (457.5 days)

 Removal In Wastewater Treatment:
    Total removal:               1.89  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.04  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.69            14.7         1000       
   Water     47              360          1000       
   Soil      51.2            720          1000       
   Sediment  0.0863          3.24e+003    0          
     Persistence Time: 353 hr

Click to predict properties on the Chemicalize site


Advertisement