ChemSpider 2D Image | Chloromethyl methyl ether | C2H5ClO

Chloromethyl methyl ether

  • Molecular FormulaC2H5ClO
  • Average mass80.513 Da
  • Monoisotopic mass80.002892 Da
  • ChemSpider ID13852893

More details:

Featured data source

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

107-30-2 [RN]
Chlor(methoxy)methan [German] [ACD/IUPAC Name]
Chloro(methoxy)methane [ACD/IUPAC Name]
Chloro(méthoxy)méthane [French] [ACD/IUPAC Name]
Chloromethyl methyl ether [Wiki]
Methane, chloromethoxy- [ACD/Index Name]
Methoxymethyl chloride
methyl chloromethyl ether
203-480-1 [EINECS]

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

BRN 0505943 [DBID]
NSC 21208 [DBID]
NSC21208 [DBID]
NSC93873 [DBID]
RCRA waste no. U046 [DBID]
RCRA waste number U046 [DBID]
UN1239 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Colorless liquid with an irritating odor. NIOSH KN6650000
    • First-Aid:

      Eye: Irrigate immediately Skin: Soap wash immediately Breathing: Respiratory support Swallow: Medical attention immediately NIOSH KN6650000
    • Exposure Routes:

      inhalation, skin absorption, ingestion, skin and/or eye contact NIOSH KN6650000
    • Symptoms:

      Irritation eyes, skin, mucous membrane; pulmonary edema, pulmonary congestion, pneumonitis; skin burns, necrosis; cough, wheezing, pulmonary congestion; blood stained-sputum; weight loss; bronchial se cretions; [potential occupational carcinogen] NIOSH KN6650000
    • Target Organs:

      Eyes, skin, respiratory system Cancer Site [in animals: skin & lung cancer] NIOSH KN6650000
    • Incompatibility:

      Water [Note: Reacts with water to form hydrochloric acid & formaldehyde.] NIOSH KN6650000
    • Personal Protection:

      Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated/Daily Remove: When wet (flammable) Change: Daily Provide: Eyewash, Quick drench NIOSH KN6650000
    • Exposure Limits:

      NIOSH REL : Ca See Appendix A OSHA PEL : [1910.1006] See Appendix B NIOSH KN6650000
  • Gas Chromatography
    • Retention Index (Kovats):

      521 (estimated with error: 89) NIST Spectra mainlib_229221, replib_428, replib_34333
    • Retention Index (Normal Alkane):

      542 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 250 C; CAS no: 107302; Active phase: OV-101; Carrier gas: N2/He; Phase thickness: 0.10 um; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Experimentally measured retention indices., 2005.) NIST Spectra nist ri
      542.7 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.2 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 20 C; End T: 200 C; Start time: 5 min; CAS no: 107302; Active phase: Methyl Silicone; Carrier gas: N2; Data type: Normal alkane RI; Authors: Yasuhara, A.; Morita, M.; Fuwa, K., Temperature-programmed retention indices of 221 halogenated organic compounds with 1-bromoalkanes as references, J. Chromatogr., 328, 1985, 35-48.) NIST Spectra nist ri

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

Density: 1.0±0.1 g/cm3
Boiling Point: 59.0±0.0 °C at 760 mmHg
Vapour Pressure: 217.6±0.1 mmHg at 25°C
Enthalpy of Vaporization: 28.9±3.0 kJ/mol
Flash Point: -6.1±15.2 °C
Index of Refraction: 1.369
Molar Refractivity: 17.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 48.33
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 48.33
Polar Surface Area: 9 Å2
Polarizability: 7.1±0.5 10-24cm3
Surface Tension: 21.0±3.0 dyne/cm
Molar Volume: 79.3±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) =  0.32

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  64.41  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -92.38  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  201  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -103.5 deg C
    BP  (exp database):  59.5 deg C
    VP  (exp database):  3.00E+01 mm Hg at 22 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.944e+004
       log Kow used: 0.32 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.924e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.04E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.066E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.32  (KowWin est)
  Log Kaw used:  -1.906  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.226
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2505
   Biowin2 (Non-Linear Model)     :   0.0318
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8394  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6212  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5250
   Biowin6 (MITI Non-Linear Model):   0.4760
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5106
 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):  4E+003 Pa (30 mm Hg)
  Log Koa (Koawin est  ): 2.226
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.5E-010 
       Octanol/air (Koa) model:  4.13E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.71E-008 
       Mackay model           :  6E-008 
       Octanol/air (Koa) model:  3.3E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.3010 E-12 cm3/molecule-sec
      Half-Life =     4.648 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    55.781 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.35E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.383
      Log Koc:  0.377 

 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: 0.32 (estimated)

 Volatilization from Water:
    Henry LC:  0.000304 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.644  hours
    Half-Life from Model Lake :      104.1  hours   (4.337 days)

 Removal In Wastewater Treatment:
    Total removal:              14.01  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     1.57  percent
    Total to Air:               12.35  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       22              112          1000       
   Water     47.2            360          1000       
   Soil      30.7            720          1000       
   Sediment  0.0881          3.24e+003    0          
     Persistence Time: 191 hr


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