ChemSpider 2D Image | (2-Methoxyethoxy)ethene | C5H10O2

(2-Methoxyethoxy)ethene

  • Molecular FormulaC5H10O2
  • Average mass102.132 Da
  • Monoisotopic mass102.068077 Da
  • ChemSpider ID14707

More details:






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

(2-Methoxyethoxy)ethen [German] [ACD/IUPAC Name]
(2-Methoxyethoxy)ethene [ACD/IUPAC Name]
(2-Méthoxyéthoxy)éthène [French] [ACD/IUPAC Name]
1663-35-0 [RN]
2-Methoxyethyl vinyl ether
Ethane, 1-methoxy-2- (vinyloxy)-
Ethene, (2-methoxyethoxy)- [ACD/Index Name]
Vinyl 2-methoxyethylether
1-(2-Methoxyethoxy)ethylene
1-(ethenyloxy)-2-methoxyethane
More...

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

5ZWW3NCD4F [DBID]
AI3-18434 [DBID]
BRN 1741642 [DBID]
HSDB 2826 [DBID]
NSC 2143 [DBID]
NSC2143 [DBID]
UNII:5ZWW3NCD4F [DBID]
UNII-5ZWW3NCD4F [DBID]
  • Gas Chromatography
    • Retention Index (Kovats):

      660 (estimated with error: 68) NIST Spectra mainlib_19961, replib_1212, replib_150500
      682 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 120 C; CAS no: 1663350; Active phase: Apiezon L; Substrate: Celite 545; Data type: Kovats RI; Authors: Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192.) NIST Spectra nist ri
      684 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 160 C; CAS no: 1663350; Active phase: Apiezon L; Substrate: Celite 545; Data type: Kovats RI; Authors: Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192.) NIST Spectra nist ri

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

Density: 0.9±0.1 g/cm3
Boiling Point: 101.4±23.0 °C at 760 mmHg
Vapour Pressure: 40.7±0.2 mmHg at 25°C
Enthalpy of Vaporization: 32.6±3.0 kJ/mol
Flash Point: 9.3±22.1 °C
Index of Refraction: 1.394
Molar Refractivity: 28.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.37
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.03
ACD/KOC (pH 5.5): 35.46
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 35.46
Polar Surface Area: 18 Å2
Polarizability: 11.3±0.5 10-24cm3
Surface Tension: 22.7±3.0 dyne/cm
Molar Volume: 118.9±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) =  0.15

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  96.23  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -70.91  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  50.4  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  8.627e+004
       log Kow used: 0.15 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.705e+005 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Ethers

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.91E-005  atm-m3/mole
   Group Method:   8.88E-006  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  7.851E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.15  (KowWin est)
  Log Kaw used:  -2.439  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.589
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0042
   Biowin2 (Non-Linear Model)     :   0.0050
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9561  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6809  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5290
   Biowin6 (MITI Non-Linear Model):   0.5810
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0734
 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):  6.41E+003 Pa (48.1 mm Hg)
  Log Koa (Koawin est  ): 2.589
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.68E-010 
       Octanol/air (Koa) model:  9.53E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.69E-008 
       Mackay model           :  3.74E-008 
       Octanol/air (Koa) model:  7.62E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  49.0352 E-12 cm3/molecule-sec
      Half-Life =     0.218 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.618 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.875000 E-17 cm3/molecule-sec
      Half-Life =     1.310 Days (at 7E11 mol/cm3)
      Half-Life =     31.433 Hrs
   Fraction sorbed to airborne particulates (phi): 2.72E-008 (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]:
    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: 0.15 (estimated)

 Volatilization from Water:
    Henry LC:  8.88E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      67.66  hours   (2.819 days)
    Half-Life from Model Lake :      822.9  hours   (34.29 days)

 Removal In Wastewater Treatment:
    Total removal:               2.34  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.50  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.737           4.49         1000       
   Water     48              360          1000       
   Soil      51.1            720          1000       
   Sediment  0.089           3.24e+003    0          
     Persistence Time: 322 hr




                    

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