ChemSpider 2D Image | 5-Decen-1-ol | C10H20O

5-Decen-1-ol

  • Molecular FormulaC10H20O
  • Average mass156.265 Da
  • Monoisotopic mass156.151413 Da
  • ChemSpider ID4446413
  • Double-bond stereo - Double-bond stereo


More details:






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

(5E)-5-Decen-1-ol [German] [ACD/IUPAC Name]
(5E)-5-Decen-1-ol [ACD/IUPAC Name]
(5E)-5-Décén-1-ol [French] [ACD/IUPAC Name]
(5E)-dec-5-en-1-ol
5-Decen-1-ol [ACD/Index Name] [ACD/IUPAC Name]
5-Decen-1-ol, (5E)- [ACD/Index Name]
(5E)dec-5-en-1-ol
(5E)-Decen-1-ol
(E)-5-Decen-1-ol
(E)-5-Decenol
More...

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

284726_ALDRICH [DBID]
AI3-34645 [DBID]
EPA Pesticide Chemical Code 078038 [DBID]
LMFA05000042 [DBID]
ZINC02169460 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.8±0.1 g/cm3
Boiling Point: 225.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 53.7±6.0 kJ/mol
Flash Point: 87.9±17.8 °C
Index of Refraction: 1.453
Molar Refractivity: 50.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 119.05
ACD/KOC (pH 5.5): 1065.18
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 119.05
ACD/KOC (pH 7.4): 1065.18
Polar Surface Area: 20 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 30.5±3.0 dyne/cm
Molar Volume: 184.7±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) =  3.57

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  244.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  6.97  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00474  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  204.8
       log Kow used: 3.57 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  171.68 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.81E-005  atm-m3/mole
   Group Method:   2.03E-005  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.759E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.57  (KowWin est)
  Log Kaw used:  -2.706  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.276
      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)    :   0.7671
   Biowin6 (MITI Non-Linear Model):   0.8910
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6064
 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):  0.605 Pa (0.00454 mm Hg)
  Log Koa (Koawin est  ): 6.276
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.96E-006 
       Octanol/air (Koa) model:  4.63E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000179 
       Mackay model           :  0.000396 
       Octanol/air (Koa) model:  3.71E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  68.4138 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  76.0138 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.876 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.689 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 0.000288 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  96.17
      Log Koc:  1.983 

 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 = 2.051 (BCF = 112.4)
       log Kow used: 3.57 (estimated)

 Volatilization from Water:
    Henry LC:  4.81E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      16.49  hours
    Half-Life from Model Lake :      284.7  hours   (11.86 days)

 Removal In Wastewater Treatment:
    Total removal:              16.72  percent
    Total biodegradation:        0.19  percent
    Total sludge adsorption:    14.36  percent
    Total to Air:                2.17  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.256           1.35         1000       
   Water     25.9            208          1000       
   Soil      73              416          1000       
   Sediment  0.891           1.87e+003    0          
     Persistence Time: 272 hr




                    

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