ChemSpider 2D Image | (2-Chlorophenyl)diphenylmethanol | C19H15ClO

(2-Chlorophenyl)diphenylmethanol

  • Molecular FormulaC19H15ClO
  • Average mass294.775 Da
  • Monoisotopic mass294.081146 Da
  • ChemSpider ID263773

More details:

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

(2-Chlorophenyl)(diphenyl)methanol [ACD/IUPAC Name]
(2-Chlorophényl)(diphényl)méthanol [French] [ACD/IUPAC Name]
(2-Chlorophenyl)diphenylmethanol
(2-Chlorphenyl)(diphenyl)methanol [German] [ACD/IUPAC Name]
66774-02-5 [RN]
Benzenemethanol, 2-chloro-α,α-diphenyl- [ACD/Index Name]
(2-CHLOROPHENYL)DIPHENYL METHANOL
(2-Chlorophenyl)diphenyl-d5-methanol
(2-chlorophenyl)-diphenylmethanol
(2-chlorophenyl)-diphenyl-methanol
More...

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

77N69DJ59Q [DBID]
529389_ALDRICH [DBID]
C13785 [DBID]
NSC170882 [DBID]
UNII:77N69DJ59Q [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 447.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.4±3.0 kJ/mol
    Flash Point: 224.5±27.3 °C
    Index of Refraction: 1.628
    Molar Refractivity: 86.0±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.18
    ACD/LogD (pH 5.5): 4.64
    ACD/BCF (pH 5.5): 1984.70
    ACD/KOC (pH 5.5): 7981.55
    ACD/LogD (pH 7.4): 4.64
    ACD/BCF (pH 7.4): 1984.68
    ACD/KOC (pH 7.4): 7981.46
    Polar Surface Area: 20 Å2
    Polarizability: 34.1±0.5 10-24cm3
    Surface Tension: 47.8±3.0 dyne/cm
    Molar Volume: 242.2±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) =  5.02

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  407.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  147.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.27E-009  (Modified Grain method)
    Subcooled liquid VP: 1.09E-007 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.181
       log Kow used: 5.02 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.59462 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.05E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.115E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.02  (KowWin est)
  Log Kaw used:  -7.367  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.387
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4970
   Biowin2 (Non-Linear Model)     :   0.2112
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1730  (months      )
   Biowin4 (Primary Survey Model) :   3.1134  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0240
   Biowin6 (MITI Non-Linear Model):   0.0159
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8001
 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):  1.45E-005 Pa (1.09E-007 mm Hg)
  Log Koa (Koawin est  ): 12.387
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.206 
       Octanol/air (Koa) model:  0.598 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.882 
       Mackay model           :  0.943 
       Octanol/air (Koa) model:  0.98 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.3770 E-12 cm3/molecule-sec
      Half-Life =     1.031 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.369 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.912 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.48E+004
      Log Koc:  4.542 

 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 = 3.169 (BCF = 1475)
       log Kow used: 5.02 (estimated)

 Volatilization from Water:
    Henry LC:  1.05E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 9.574E+005  hours   (3.989E+004 days)
    Half-Life from Model Lake : 1.044E+007  hours   (4.352E+005 days)

 Removal In Wastewater Treatment:
    Total removal:              78.33  percent
    Total biodegradation:        0.68  percent
    Total sludge adsorption:    77.64  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0329          24.7         1000       
   Water     6.3             1.44e+003    1000       
   Soil      73.6            2.88e+003    1000       
   Sediment  20.1            1.3e+004     0          
     Persistence Time: 3.36e+003 hr

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