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Search term: 143-29-3 (Found by approved synonym)
ChemSpider 2D Image | 5,8,11,13,16,19-Hexaoxatricosane | C17H36O6

5,8,11,13,16,19-Hexaoxatricosane

  • Molecular FormulaC17H36O6
  • Average mass336.464 Da
  • Monoisotopic mass336.251190 Da
  • ChemSpider ID8586

More details:

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

143-29-3 [RN]
205-598-9 [EINECS]
5,8,11,13,16,19-Hexaoxatricosan [German] [ACD/IUPAC Name]
5,8,11,13,16,19-Hexaoxatricosane [ACD/Index Name] [ACD/IUPAC Name]
5,8,11,13,16,19-Hexaoxatricosane [French] [ACD/Index Name] [ACD/IUPAC Name]
BIS(2-(2-BUTOXYETHOXY)ETHOXY)METHANE
bis-[2-(2-Butoxyethoxy)ethoxy]methane
Bis[2-(2-butoxyethoxy)ethoxy]methane
Methane, bis[2- (2-butoxyethoxy)ethoxy]-
[143-29-3] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

L0Y73G495R [DBID]
BRN 2450899 [DBID]
HSDB 5647 [DBID]
NSC 7185 [DBID]
NSC7185 [DBID]
UNII:L0Y73G495R [DBID]
UNII-L0Y73G495R [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 392.3±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 61.7±3.0 kJ/mol
    Flash Point: 147.7±25.0 °C
    Index of Refraction: 1.439
    Molar Refractivity: 91.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 20
    #Rule of 5 Violations: 0
    ACD/LogP: 2.10
    ACD/LogD (pH 5.5): 1.98
    ACD/BCF (pH 5.5): 18.84
    ACD/KOC (pH 5.5): 284.71
    ACD/LogD (pH 7.4): 1.98
    ACD/BCF (pH 7.4): 18.84
    ACD/KOC (pH 7.4): 284.71
    Polar Surface Area: 55 Å2
    Polarizability: 36.2±0.5 10-24cm3
    Surface Tension: 32.1±3.0 dyne/cm
    Molar Volume: 347.3±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) =  1.65

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  371.93  (Adapted Stein & Brown method)
    Melting Pt (deg C):  122.54  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.36E-006  (Modified Grain method)
    Subcooled liquid VP: 8.73E-005 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):  289
       log Kow used: 1.65 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9557.4 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.61E-011  atm-m3/mole
   Group Method:   3.08E-014  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.434E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.65  (KowWin est)
  Log Kaw used:  -9.182  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.832
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.2799
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0003  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8420  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4620
   Biowin6 (MITI Non-Linear Model):   0.2059
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.1122
 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):  0.0116 Pa (8.73E-005 mm Hg)
  Log Koa (Koawin est  ): 10.832
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000258 
       Octanol/air (Koa) model:  0.0167 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00922 
       Mackay model           :  0.0202 
       Octanol/air (Koa) model:  0.572 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  84.1704 E-12 cm3/molecule-sec
      Half-Life =     0.127 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.525 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0147 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  10
      Log Koc:  1.000 

 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 = 0.574 (BCF = 3.747)
       log Kow used: 1.65 (estimated)

 Volatilization from Water:
    Henry LC:  1.61E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 6.671E+007  hours   (2.779E+006 days)
    Half-Life from Model Lake : 7.277E+008  hours   (3.032E+007 days)

 Removal In Wastewater Treatment:
    Total removal:               2.03  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.93  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.000331        3.05         1000       
   Water     27.2            360          1000       
   Soil      72.8            720          1000       
   Sediment  0.0706          3.24e+003    0          
     Persistence Time: 669 hr

    Click to predict properties on the Chemicalize site


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