ChemSpider 2D Image | 14C-acetylene | 14C2H2

14C-acetylene

  • Molecular Formula14C2H2
  • Average mass30.022 Da
  • Monoisotopic mass30.022133 Da
  • ChemSpider ID9161342
  • Non-standard isotope - Non-standard isotope


More details:






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

(14C2)Acetylen [German] [ACD/IUPAC Name]
(14C2)Acetylene [ACD/IUPAC Name]
(14C2)Acétylène [French] [ACD/IUPAC Name]
14C-acetylene
Ethyne-14C2 [ACD/Index Name]

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

Density: 0.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.316
Molar Refractivity: 9.0±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 3.6±0.5 10-24cm3
Surface Tension: 16.0±3.0 dyne/cm
Molar Volume: 45.8±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) =  0.50
    Log Kow (Exper. database match) =  0.37
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -36.63  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -154.04  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.81E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -80.7 deg C
    BP  (exp database):  -84.7 deg C
    VP  (exp database):  4.04E+04 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.476e+004
       log Kow used: 0.37 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1200 mg/L (20 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12559 mg/L
    Wat Sol (Exper. database match) =  1200.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.40E-002  atm-m3/mole
   Group Method:   2.45E-002  atm-m3/mole
   Exper Database: 2.17E-02  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.764E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.37  (exp database)
  Log Kaw used:  -0.052  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  0.422
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7351
   Biowin2 (Non-Linear Model)     :   0.9333
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1416  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8102  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6347
   Biowin6 (MITI Non-Linear Model):   0.8550
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.4898
     BioHC Half-Life (days)     :   3.0886

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  5.39E+006 Pa (4.04E+004 mm Hg)
  Log Koa (Koawin est  ): 0.422
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.57E-013 
       Octanol/air (Koa) model:  6.49E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.01E-011 
       Mackay model           :  4.46E-011 
       Octanol/air (Koa) model:  5.19E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.8150 E-12 cm3/molecule-sec
      Half-Life =    13.124 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.003000 E-17 cm3/molecule-sec
      Half-Life =   382.000 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 3.23E-011 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  14.3
      Log Koc:  1.155 

 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 = 0.500 (BCF = 3.162)
       log Kow used: 0.37 (expkow database)

 Volatilization from Water:
    Henry LC:  0.0217 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.5345  hours   (32.07 min)
    Half-Life from Model Lake :      48.62  hours   (2.026 days)

 Removal In Wastewater Treatment:
    Total removal:              89.42  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     0.41  percent
    Total to Air:               88.98  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       50.9            298          1000       
   Water     47.6            360          1000       
   Soil      1.44            720          1000       
   Sediment  0.089           3.24e+003    0          
     Persistence Time: 130 hr




                    

Click to predict properties on the Chemicalize site





Feedback Form