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Search term: 1007-03-0 (Found by approved synonym)
ChemSpider 2D Image | Cyclopropyl phenylmethanol | C10H12O

Cyclopropyl phenylmethanol

  • Molecular FormulaC10H12O
  • Average mass148.202 Da
  • Monoisotopic mass148.088821 Da
  • ChemSpider ID59479

More details:

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

1007-03-0 [RN]
213-749-5 [EINECS]
Benzenemethanol, α-cyclopropyl- [ACD/Index Name]
Cyclopropyl phenyl carbinol
Cyclopropyl phenylmethanol
Cyclopropyl(phenyl)methanol [ACD/IUPAC Name]
Cyclopropyl(phenyl)methanol [German] [ACD/IUPAC Name]
Cyclopropyl(phényl)méthanol [French] [ACD/IUPAC Name]
α-Cyclopropylbenzyl Alcohol
&α;-cyclopropylbenzylalcohol
More...

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

MFCD00001299 [DBID]
BRN 2501089 [DBID]
C120405_ALDRICH [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 248.9±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 51.4±3.0 kJ/mol
Flash Point: 112.2±0.0 °C
Index of Refraction: 1.602
Molar Refractivity: 44.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 14.91
ACD/KOC (pH 5.5): 240.73
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.91
ACD/KOC (pH 7.4): 240.73
Polar Surface Area: 20 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 129.8±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) =  2.29

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  247.48  (Adapted Stein & Brown method)
    Melting Pt (deg C):  25.16  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00369  (Modified Grain method)
    Subcooled liquid VP: 0.0037 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):  2772
       log Kow used: 2.29 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2915.3 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.24E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.596E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.29  (KowWin est)
  Log Kaw used:  -5.038  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.328
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9638
   Biowin2 (Non-Linear Model)     :   0.9786
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0536  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7683  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5156
   Biowin6 (MITI Non-Linear Model):   0.6125
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5424
 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):  0.493 Pa (0.0037 mm Hg)
  Log Koa (Koawin est  ): 7.328
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.08E-006 
       Octanol/air (Koa) model:  5.22E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00022 
       Mackay model           :  0.000486 
       Octanol/air (Koa) model:  0.000418 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.2464 E-12 cm3/molecule-sec
      Half-Life =     0.807 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.690 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000353 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  91.89
      Log Koc:  1.963 

 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 = 0.413 (BCF = 2.587)
       log Kow used: 2.29 (estimated)

 Volatilization from Water:
    Henry LC:  2.24E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       3183  hours   (132.6 days)
    Half-Life from Model Lake : 3.483E+004  hours   (1451 days)

 Removal In Wastewater Treatment:
    Total removal:               2.63  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.52  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.18            19.4         1000       
   Water     26.2            360          1000       
   Soil      72.5            720          1000       
   Sediment  0.133           3.24e+003    0          
     Persistence Time: 499 hr

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