Found 187 results

Search term: MF = 'C_{6}H_{10}Cl_{2}O'
ChemSpider 2D Image | (2,2-Dichloro-3,3-dimethylcyclopropyl)methanol | C6H10Cl2O

(2,2-Dichloro-3,3-dimethylcyclopropyl)methanol

  • Molecular FormulaC6H10Cl2O
  • Average mass169.049 Da
  • Monoisotopic mass168.010864 Da
  • ChemSpider ID14723446

More details:

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

(2,2-Dichlor-3,3-dimethylcyclopropyl)methanol [German] [ACD/IUPAC Name]
(2,2-Dichloro-3,3-dimethylcyclopropyl)methanol [ACD/IUPAC Name]
(2,2-Dichloro-3,3-diméthylcyclopropyl)méthanol [French] [ACD/IUPAC Name]
Cyclopropanemethanol, 2,2-dichloro-3,3-dimethyl- [ACD/Index Name]
(2,2-dimethyl-3,3-dichlorocyclopropyl)-methanol
52815-11-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 213.0±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 52.3±6.0 kJ/mol
Flash Point: 99.5±13.0 °C
Index of Refraction: 1.505
Molar Refractivity: 39.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.90
ACD/KOC (pH 5.5): 252.06
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.90
ACD/KOC (pH 7.4): 252.06
Polar Surface Area: 20 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 37.9±5.0 dyne/cm
Molar Volume: 131.4±5.0 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) =  1.93

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  194.90  (Adapted Stein & Brown method)
    Melting Pt (deg C):  20.81  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.1  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4539
       log Kow used: 1.93 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1468.9 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.08E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.901E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.93  (KowWin est)
  Log Kaw used:  -4.605  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.535
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2352
   Biowin2 (Non-Linear Model)     :   0.0044
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2150  (months      )
   Biowin4 (Primary Survey Model) :   3.2252  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5704
   Biowin6 (MITI Non-Linear Model):   0.1836
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1774
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  11.9 Pa (0.0896 mm Hg)
  Log Koa (Koawin est  ): 6.535
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.51E-007 
       Octanol/air (Koa) model:  8.41E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.07E-006 
       Mackay model           :  2.01E-005 
       Octanol/air (Koa) model:  6.73E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.5101 E-12 cm3/molecule-sec
      Half-Life =     2.372 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    28.459 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.46E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  15.87
      Log Koc:  1.201 

 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 = 0.784 (BCF = 6.087)
       log Kow used: 1.93 (estimated)

 Volatilization from Water:
    Henry LC:  6.08E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1253  hours   (52.22 days)
    Half-Life from Model Lake : 1.378E+004  hours   (574.3 days)

 Removal In Wastewater Treatment:
    Total removal:               2.22  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.09  percent
    Total to Air:                0.03  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.2             56.9         1000       
   Water     30.6            1.44e+003    1000       
   Soil      68.1            2.88e+003    1000       
   Sediment  0.112           1.3e+004     0          
     Persistence Time: 1.13e+003 hr

Click to predict properties on the Chemicalize site


Advertisement