PLANNED MAINTENANCE

There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.


ChemSpider 2D Image | (2Z)-2-Pentene | C5H10

(2Z)-2-Pentene

  • Molecular FormulaC5H10
  • Average mass70.133 Da
  • Monoisotopic mass70.078247 Da
  • ChemSpider ID4483638
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-2-Pentene [ACD/IUPAC Name]
(2Z)-2-Penten [German] [ACD/IUPAC Name]
(2Z)-2-Pentène [French] [ACD/IUPAC Name]
(2Z)-Pent-2-en
(2Z)-Pent-2-ene
(Z)-2-Pentene
16545-78-1 [RN]
20079-30-5 [RN]
247-323-5 [EINECS]
25899-50-7 [RN]
More...

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

13MIC79314 [DBID]
1718794 [DBID]
54UR3XZ4FC [DBID]
84YRK5F4AJ [DBID]
J61878UBBT [DBID]
143766_ALDRICH [DBID]
241997_ALDRICH [DBID]
328421_ALDRICH [DBID]
76969_FLUKA [DBID]
76971_FLUKA [DBID]
More...

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

Density: 0.7±0.1 g/cm3
Boiling Point: 37.5±3.0 °C at 760 mmHg
Vapour Pressure: 484.7±0.0 mmHg at 25°C
Enthalpy of Vaporization: 27.1±0.8 kJ/mol
Flash Point: -45.6±0.0 °C
Index of Refraction: 1.398
Molar Refractivity: 25.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.60
ACD/KOC (pH 5.5): 577.39
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.60
ACD/KOC (pH 7.4): 577.39
Polar Surface Area: 0 Å2
Polarizability: 10.0±0.5 10-24cm3
Surface Tension: 18.9±3.0 dyne/cm
Molar Volume: 104.7±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) =  2.58

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  53.97  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -107.14  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  507  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -140.2 deg C
    BP  (exp database):  36.3 deg C
    VP  (exp database):  5.06E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  245.1
       log Kow used: 2.58 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  203 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
     Water Sol (Exper. database match) =  203 mg/L (25 deg C)
        Exper. Ref:  MACKAY,D & SHIU,W (1981)
     Water Sol (Exper. database match) =  203 mg/L (25 deg C)
        Exper. Ref:  YAWS,CL ET AL (1990)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  215.75 mg/L
    Wat Sol (Exper. database match) =  203.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
    Wat Sol (Exper. database match) =  203.00
       Exper. Ref:  MACKAY,D & SHIU,W (1981)
    Wat Sol (Exper. database match) =  203.00
       Exper. Ref:  YAWS,CL ET AL (1990)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.19E-001  atm-m3/mole
   Group Method:   2.62E-001  atm-m3/mole
   Exper Database: 2.40E-01  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.909E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.58  (KowWin est)
  Log Kaw used:  0.973  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  1.607
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8226
   Biowin2 (Non-Linear Model)     :   0.9793
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3425  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.0156  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5661
   Biowin6 (MITI Non-Linear Model):   0.7362
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2382
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.3491
     BioHC Half-Life (days)     :   2.2342

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  6.75E+004 Pa (506 mm Hg)
  Log Koa (Koawin est  ): 1.607
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.45E-011 
       Octanol/air (Koa) model:  9.93E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.61E-009 
       Mackay model           :  3.56E-009 
       Octanol/air (Koa) model:  7.94E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  57.6373 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  65.2373 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.227 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.967 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): 2.58E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  80.77
      Log Koc:  1.907 

 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 = 1.288 (BCF = 19.41)
       log Kow used: 2.58 (estimated)

 Volatilization from Water:
    Henry LC:  0.24 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.8567  hours   (51.40 min)
    Half-Life from Model Lake :      79.57  hours   (3.315 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.94  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     1.15  percent
    Total to Air:               97.77  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.53            0.711        1000       
   Water     93.9            208          1000       
   Soil      3.9             416          1000       
   Sediment  0.621           1.87e+003    0          
     Persistence Time: 52 hr




                    

Click to predict properties on the Chemicalize site






Advertisement