ChemSpider 2D Image | Chlorine | Cl2

Chlorine

  • Molecular FormulaCl2
  • Average mass70.906 Da
  • Monoisotopic mass69.937706 Da
  • ChemSpider ID22933

More details:






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

7782-50-5 [RN]
Bertholite [Wiki]
Chloor [Dutch]
Chlor [German] [ACD/IUPAC Name]
Chlore [French] [ACD/IUPAC Name]
Chlorine [ACD/Index Name] [ACD/IUPAC Name] [Wiki]
Chlorine gas
cloro [Italian]
102-30-7 [RN]
22537-15-1 [RN]
More...

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

Chlorine [UN1017] [Poison gas] [DBID]
295132_ALDRICH [DBID]
Caswell No. 179 [DBID]
CCRIS 2280 [DBID]
CHEBI:29310 [DBID]
EPA Pesticide Chemical Code 020501 [DBID]
HSDB 206 [DBID]
UN 1017 [DBID]
UN1017 [DBID]
UNII:4R7X1O2820 [DBID]
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: -34.6±9.0 °C at 760 mmHg
Vapour Pressure: 6447.2±0.0 mmHg at 25°C
Enthalpy of Vaporization: 20.4±0.0 kJ/mol
Flash Point:
Index of Refraction: 1.375
Molar Refractivity: 11.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.85
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: 0 Å2
Polarizability: 4.7±0.5 10-24cm3
Surface Tension: 20.4±3.0 dyne/cm
Molar Volume: 51.3±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) =  0.85

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  472.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  169.34  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.99E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -101 deg C
    BP  (exp database):  -34.05 deg C
    VP  (exp database):  5.85E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.542e+004
       log Kow used: 0.85 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  6300 mg/L (25 deg C)
        Exper. Ref:  AMOORE,JE & HAUTALA,E (1983)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  33535 mg/L
    Wat Sol (Exper. database match) =  6300.00
       Exper. Ref:  AMOORE,JE & HAUTALA,E (1983)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   Incomplete
   Group Method:   2.45E-002  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.790E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7138
   Biowin2 (Non-Linear Model)     :   0.8810
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0425  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7454  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5012
   Biowin6 (MITI Non-Linear Model):   0.6174
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 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):  7.8E+005 Pa (5.85E+003 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.85E-012 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.39E-010 
       Mackay model           :  3.08E-010 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.23E-010 (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]:
  Total Kb for pH > 8 at 25 deg C :  5.095E-009  L/mol-sec
  Kb Half-Life at pH 8: 4.311E+006  years  
  Kb Half-Life at pH 7: 4.311E+007  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: 0.85 (estimated)

 Volatilization from Water:
    Henry LC:  0.0245 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:     0.8794  hours   (52.76 min)
    Half-Life from Model Lake :       80.2  hours   (3.342 days)

 Removal In Wastewater Treatment:
    Total removal:              90.51  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.41  percent
    Total to Air:               90.08  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       56.1            1e+005       1000       
   Water     42.5            360          1000       
   Soil      1.3             720          1000       
   Sediment  0.0831          3.24e+003    0          
     Persistence Time: 146 hr




                    

Click to predict properties on the Chemicalize site






Advertisement