ChemSpider 2D Image | 1-Cyclopenten-1-ylmethanol | C6H10O

1-Cyclopenten-1-ylmethanol

  • Molecular FormulaC6H10O
  • Average mass98.143 Da
  • Monoisotopic mass98.073166 Da
  • ChemSpider ID9226746

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

1-Cyclopenten-1-ylmethanol [ACD/IUPAC Name]
1-Cyclopenten-1-ylmethanol [German] [ACD/IUPAC Name]
1-Cyclopentén-1-ylméthanol [French] [ACD/IUPAC Name]
1-Cyclopentene-1-methanol [ACD/Index Name]
(cyclopent-1-en-1-yl)methanol
1120-80-5 [RN]
1-Cyclopentenemethanol
1-CYCLOPENTENYLMETHANOL
1-HYDROXYMETHYLCYCLOPENTENE
cyclopent-1-en-1-ylmethanol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 165.9±9.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.7 mmHg at 25°C
Enthalpy of Vaporization: 46.9±6.0 kJ/mol
Flash Point: 73.8±15.0 °C
Index of Refraction: 1.498
Molar Refractivity: 28.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.46
ACD/KOC (pH 5.5): 211.69
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.46
ACD/KOC (pH 7.4): 211.69
Polar Surface Area: 20 Å2
Polarizability: 11.5±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 98.6±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) =  1.55

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  173.82  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -19.35  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.347  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.811e+004
       log Kow used: 1.55 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  38336 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Alcohols

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.08E-006  atm-m3/mole
   Group Method:   1.69E-006  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.475E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.55  (KowWin est)
  Log Kaw used:  -3.683  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.233
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8596
   Biowin2 (Non-Linear Model)     :   0.9389
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1423  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8356  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6961
   Biowin6 (MITI Non-Linear Model):   0.8658
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5613
 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):  41.2 Pa (0.309 mm Hg)
  Log Koa (Koawin est  ): 5.233
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.28E-008 
       Octanol/air (Koa) model:  4.2E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.63E-006 
       Mackay model           :  5.83E-006 
       Octanol/air (Koa) model:  3.36E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  92.6838 E-12 cm3/molecule-sec
      Half-Life =     0.115 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.385 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.000000 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.378 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 4.23E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  8.492
      Log Koc:  0.929 

 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 = 0.495 (BCF = 3.126)
       log Kow used: 1.55 (estimated)

 Volatilization from Water:
    Henry LC:  1.69E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      344.2  hours   (14.34 days)
    Half-Life from Model Lake :       3838  hours   (159.9 days)

 Removal In Wastewater Treatment:
    Total removal:               2.08  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.89  percent
    Total to Air:                0.10  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.07            0.52         1000       
   Water     38.1            360          1000       
   Soil      61.7            720          1000       
   Sediment  0.0931          3.24e+003    0          
     Persistence Time: 377 hr




                    

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