ChemSpider 2D Image | Dec-1-en-3-ol | C10H20O

Dec-1-en-3-ol

  • Molecular FormulaC10H20O
  • Average mass156.265 Da
  • Monoisotopic mass156.151413 Da
  • ChemSpider ID149476

More details:

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

1750753 [Beilstein]
1-Decen-3-ol [ACD/Index Name]
1-Decen-3-ol [German] [ACD/IUPAC Name]
1-Décén-3-ol [French] [ACD/IUPAC Name]
256-967-6 [EINECS]
3824 [Beilstein]
3-Hydroxy-1-decene
51100-54-0 [RN]
Dec-1-en-3-ol [ACD/IUPAC Name]
QY7&1U1 [WLN]
More...

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

UNII:VO05FOL7H0 [DBID]
VO05FOL7H0 [DBID]
W382418_ALDRICH [DBID]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 211.4±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 52.1±6.0 kJ/mol
Flash Point: 79.3±5.2 °C
Index of Refraction: 1.444
Molar Refractivity: 49.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 312.79
ACD/KOC (pH 5.5): 2126.72
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 312.79
ACD/KOC (pH 7.4): 2126.72
Polar Surface Area: 20 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 29.0±3.0 dyne/cm
Molar Volume: 186.6±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) =  3.58

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  220.08  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -5.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0216  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  202.7
       log Kow used: 3.58 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  134.57 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 :   4.07E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.191E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.58  (KowWin est)
  Log Kaw used:  -2.779  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.359
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9403
   Biowin2 (Non-Linear Model)     :   0.9770
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3121  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.0208  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6732
   Biowin6 (MITI Non-Linear Model):   0.8321
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3411
 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):  2.64 Pa (0.0198 mm Hg)
  Log Koa (Koawin est  ): 6.359
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.14E-006 
       Octanol/air (Koa) model:  5.61E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.1E-005 
       Mackay model           :  9.09E-005 
       Octanol/air (Koa) model:  4.49E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  43.1730 E-12 cm3/molecule-sec
      Half-Life =     0.248 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.973 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi): 6.6E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  84.45
      Log Koc:  1.927 

 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 = 2.055 (BCF = 113.5)
       log Kow used: 3.58 (estimated)

 Volatilization from Water:
    Henry LC:  4.07E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      19.26  hours
    Half-Life from Model Lake :      314.9  hours   (13.12 days)

 Removal In Wastewater Treatment:
    Total removal:              16.68  percent
    Total biodegradation:        0.20  percent
    Total sludge adsorption:    14.64  percent
    Total to Air:                1.85  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.832           4.72         1000       
   Water     26              208          1000       
   Soil      72.3            416          1000       
   Sediment  0.911           1.87e+003    0          
     Persistence Time: 275 hr

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