ChemSpider 2D Image | SA0425000 | C5H10I2

SA0425000

  • Molecular FormulaC5H10I2
  • Average mass323.942 Da
  • Monoisotopic mass323.887177 Da
  • ChemSpider ID11848

More details:

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

1,5-Diiodopentane [ACD/IUPAC Name]
1,5-Diiodopentane [French] [ACD/IUPAC Name]
1,5-Diiodpentan [German] [ACD/IUPAC Name]
211-054-1 [EINECS]
628-77-3 [RN]
MFCD00001101 [MDL number]
Pentane, 1,5-diiodo- [ACD/Index Name]
SA0425000
"1,5-DIIODOPENTANE"
"PENTANE, 1,5-DIIODO-"
More...

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

252131_ALDRICH [DBID]
BRN 1697281 [DBID]
NSC 9457 [DBID]
NSC9457 [DBID]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 264.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.2±3.0 kJ/mol
Flash Point: 123.7±13.9 °C
Index of Refraction: 1.604
Molar Refractivity: 51.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 297.96
ACD/KOC (pH 5.5): 2054.02
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 297.96
ACD/KOC (pH 7.4): 2054.02
Polar Surface Area: 0 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 148.7±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) =  4.31

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  250.38  (Adapted Stein & Brown method)
    Melting Pt (deg C):  10.80  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0433  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  9 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.838
       log Kow used: 4.31 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.3162 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.27E-003  atm-m3/mole
   Group Method:   3.62E-004  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.004E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.31  (KowWin est)
  Log Kaw used:  -1.285  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.595
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5933
   Biowin2 (Non-Linear Model)     :   0.1692
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4833  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3804  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0045
   Biowin6 (MITI Non-Linear Model):   0.0092
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9660
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  5.65 Pa (0.0424 mm Hg)
  Log Koa (Koawin est  ): 5.595
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.31E-007 
       Octanol/air (Koa) model:  9.66E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.92E-005 
       Mackay model           :  4.25E-005 
       Octanol/air (Koa) model:  7.73E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.6877 E-12 cm3/molecule-sec
      Half-Life =     2.900 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    34.805 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.08E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  274.7
      Log Koc:  2.439 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  7.433E-011  L/mol-sec
  Kb Half-Life at pH 8: 2.955E+008  years  
  Kb Half-Life at pH 7: 2.955E+009  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.622 (BCF = 418.4)
       log Kow used: 4.31 (estimated)

 Volatilization from Water:
    Henry LC:  0.000362 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      4.748  hours
    Half-Life from Model Lake :      202.7  hours   (8.446 days)

 Removal In Wastewater Treatment:
    Total removal:              51.40  percent
    Total biodegradation:        0.41  percent
    Total sludge adsorption:    43.36  percent
    Total to Air:                7.64  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.38            69.6         1000       
   Water     10.1            900          1000       
   Soil      82.7            1.8e+003     1000       
   Sediment  4.88            8.1e+003     0          
     Persistence Time: 1.03e+003 hr

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