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Search term: MF = 'C_{5}H_{7}ClO_{2}'
ChemSpider 2D Image | CEA | C5H7ClO2

CEA

  • Molecular FormulaC5H7ClO2
  • Average mass134.561 Da
  • Monoisotopic mass134.013458 Da
  • ChemSpider ID15764

More details:

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

218-619-1 [EINECS]
2206-89-5 [RN]
2-Chlorethyl-acrylat [German] [ACD/IUPAC Name]
2-Chloroethyl acrylate [ACD/IUPAC Name]
2-chloroethyl prop-2-enoate
2-Propenoic acid, 2-chloroethyl ester [ACD/Index Name]
2-Propenoic acid, 2-chloroethyl ester (9CI)
Acrylate de 2-chloroéthyle [French] [ACD/IUPAC Name]
Acrylic acid β-chloroethyl ester
AS6300000
More...

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

XA9Y3IT710 [DBID]
AI3-03183 [DBID]
BRN 1749712 [DBID]
CCRIS 4765 [DBID]
NCIOpen2_000601 [DBID]
NSC 18592 [DBID]
NSC 65162 [DBID]
NSC18592 [DBID]
NSC65162 [DBID]
UNII:XA9Y3IT710 [DBID]
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 169.5±23.0 °C at 760 mmHg
Vapour Pressure: 1.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.6±3.0 kJ/mol
Flash Point: 67.8±18.1 °C
Index of Refraction: 1.435
Molar Refractivity: 31.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.71
ACD/KOC (pH 5.5): 202.54
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.71
ACD/KOC (pH 7.4): 202.54
Polar Surface Area: 26 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 30.0±3.0 dyne/cm
Molar Volume: 121.0±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) =  1.47

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  161.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -37.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.33  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  51-53 @ 18 mm Hg deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4869
       log Kow used: 1.47 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5612.7 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.32E-005  atm-m3/mole
   Group Method:   1.34E-006  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  8.473E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.47  (KowWin est)
  Log Kaw used:  -2.753  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.223
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7463
   Biowin2 (Non-Linear Model)     :   0.9653
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8688  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7819  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7740
   Biowin6 (MITI Non-Linear Model):   0.8010
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8247
 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):  283 Pa (2.12 mm Hg)
  Log Koa (Koawin est  ): 4.223
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.06E-008 
       Octanol/air (Koa) model:  4.1E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.83E-007 
       Mackay model           :  8.49E-007 
       Octanol/air (Koa) model:  3.28E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.1795 E-12 cm3/molecule-sec
      Half-Life =     1.051 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.609 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 6.16E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  21.85
      Log Koc:  1.339 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  8.226E-002  L/mol-sec
  Kb Half-Life at pH 8:      97.517  days   
  Kb Half-Life at pH 7:       2.670  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.434 (BCF = 2.717)
       log Kow used: 1.47 (estimated)

 Volatilization from Water:
    Henry LC:  1.34E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:        508  hours   (21.17 days)
    Half-Life from Model Lake :       5639  hours   (235 days)

 Removal In Wastewater Treatment:
    Total removal:               2.04  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.87  percent
    Total to Air:                0.08  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.04            21.7         1000       
   Water     37.9            360          1000       
   Soil      59.9            720          1000       
   Sediment  0.0888          3.24e+003    0          
     Persistence Time: 393 hr

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