Found 1 result

Search term: 63295-65-8 (Found by synonym)
ChemSpider 2D Image | (1-Butylcyclobutyl)methanol | C9H18O

(1-Butylcyclobutyl)methanol

  • Molecular FormulaC9H18O
  • Average mass142.239 Da
  • Monoisotopic mass142.135757 Da
  • ChemSpider ID15184005

More details:

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

(1-Butylcyclobutyl)methanol [German] [ACD/IUPAC Name]
(1-Butylcyclobutyl)methanol [ACD/IUPAC Name]
(1-Butylcyclobutyl)méthanol [French] [ACD/IUPAC Name]
Cyclobutanemethanol, 1-butyl- [ACD/Index Name]
(1-BUTYLCYCLOBUTYL)METHANOL|(1-BUTYLCYCLOBUTYL)METHANOL
1-Butyl-cyclobutanemethanol
63295-65-8 [RN]
MFCD21670881

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

Density: 0.9±0.0 g/cm3
Boiling Point: 188.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.0 mmHg at 25°C
Enthalpy of Vaporization: 49.4±0.0 kJ/mol
Flash Point: 75.8±0.0 °C
Index of Refraction: 1.456
Molar Refractivity: 43.2±0.0 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 90.70
ACD/KOC (pH 5.5): 876.73
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.70
ACD/KOC (pH 7.4): 876.73
Polar Surface Area: 20 Å2
Polarizability: 17.1±0.0 10-24cm3
Surface Tension: 36.3±0.0 dyne/cm
Molar Volume: 158.6±0.0 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) =  3.07

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  215.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  14.53  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0295  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  629.7
       log Kow used: 3.07 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  921.05 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.15E-005  atm-m3/mole
   Group Method:   7.56E-006  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  8.768E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.07  (KowWin est)
  Log Kaw used:  -3.328  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.398
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7631
   Biowin2 (Non-Linear Model)     :   0.9027
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1310  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8876  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7750
   Biowin6 (MITI Non-Linear Model):   0.9063
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0188
 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):  3.59 Pa (0.0269 mm Hg)
  Log Koa (Koawin est  ): 6.398
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.36E-007 
       Octanol/air (Koa) model:  6.14E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.02E-005 
       Mackay model           :  6.69E-005 
       Octanol/air (Koa) model:  4.91E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.4900 E-12 cm3/molecule-sec
      Half-Life =     1.127 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    13.525 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.86E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  46.94
      Log Koc:  1.672 

 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 = 1.666 (BCF = 46.37)
       log Kow used: 3.07 (estimated)

 Volatilization from Water:
    Henry LC:  7.56E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      93.58  hours   (3.899 days)
    Half-Life from Model Lake :       1121  hours   (46.7 days)

 Removal In Wastewater Treatment:
    Total removal:               6.72  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     6.19  percent
    Total to Air:                0.40  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.02            27           1000       
   Water     24.7            360          1000       
   Soil      72.9            720          1000       
   Sediment  0.47            3.24e+003    0          
     Persistence Time: 466 hr

Click to predict properties on the Chemicalize site


Advertisement