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Search term: MF = 'C_{10}H_{11}IO'
ChemSpider 2D Image | 1-Iodo-2-[(2-methyl-2-propen-1-yl)oxy]benzene | C10H11IO

1-Iodo-2-[(2-methyl-2-propen-1-yl)oxy]benzene

  • Molecular FormulaC10H11IO
  • Average mass274.098 Da
  • Monoisotopic mass273.985443 Da
  • ChemSpider ID9219132

More details:

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

1-Iod-2-[(2-methyl-2-propen-1-yl)oxy]benzol [German] [ACD/IUPAC Name]
1-Iodo-2-[(2-methyl-2-propen-1-yl)oxy]benzene [ACD/IUPAC Name]
1-Iodo-2-[(2-méthyl-2-propén-1-yl)oxy]benzène [French] [ACD/IUPAC Name]
Benzene, 1-iodo-2-[(2-methyl-2-propen-1-yl)oxy]- [ACD/Index Name]
156642-47-6 [RN]
1-iodo-2-(2-methylallyloxy)benzene
1-iodo-2-[(2-methylprop-2-en-1-yl)oxy]benzene
MFCD14648509

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

Density: 1.5±0.1 g/cm3
Boiling Point: 293.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.2±3.0 kJ/mol
Flash Point: 131.5±22.6 °C
Index of Refraction: 1.573
Molar Refractivity: 59.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 480.58
ACD/KOC (pH 5.5): 2892.09
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 480.58
ACD/KOC (pH 7.4): 2892.09
Polar Surface Area: 9 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 179.9±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) =  4.63

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  279.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  41.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00407  (Modified Grain method)
    Subcooled liquid VP: 0.00571 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.909
       log Kow used: 4.63 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.2547 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Ethers

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.52E-004  atm-m3/mole
   Group Method:   2.81E-003  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  7.689E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.63  (KowWin est)
  Log Kaw used:  -2.207  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.837
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0097
   Biowin2 (Non-Linear Model)     :   0.0002
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4904  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4023  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1970
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4318
 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):  0.761 Pa (0.00571 mm Hg)
  Log Koa (Koawin est  ): 6.837
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.94E-006 
       Octanol/air (Koa) model:  1.69E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000142 
       Mackay model           :  0.000315 
       Octanol/air (Koa) model:  0.000135 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  64.3367 E-12 cm3/molecule-sec
      Half-Life =     0.166 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.995 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi): 0.000229 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1024
      Log Koc:  3.010 

 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 = 2.868 (BCF = 738.5)
       log Kow used: 4.63 (estimated)

 Volatilization from Water:
    Henry LC:  0.00281 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.034  hours
    Half-Life from Model Lake :        161  hours   (6.709 days)

 Removal In Wastewater Treatment:
    Total removal:              76.44  percent
    Total biodegradation:        0.40  percent
    Total sludge adsorption:    52.97  percent
    Total to Air:               23.07  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.258           3.4          1000       
   Water     8.35            900          1000       
   Soil      83              1.8e+003     1000       
   Sediment  8.41            8.1e+003     0          
     Persistence Time: 973 hr

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