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PEG-4

Molecular FormulaC₈H₁₈O₅
Average mass194.225 Da
Monoisotopic mass194.115417 Da
ChemSpider ID7908

More details:

Names and Synonyms
Database ID(s)

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

112-60-7 [RN]

1634320 [Beilstein]

2,2'-[Oxybis(2,1-ethandiyloxy)]diethanol [German] [ACD/IUPAC Name]

2,2'-[Oxybis(2,1-ethanediyloxy)]diethanol [ACD/IUPAC Name]

2,2'-[Oxybis(2,1-éthanediyloxy)]diéthanol [French] [ACD/IUPAC Name]

2,2'-[Oxybis(ethane-2,1-diyloxy)]diethanol

203-989-9 [EINECS]

Bis[2-(2-hydroxyethoxy)ethyl] ether

Bis[2-(2-hydroxyethoxy)ethyl]ether

Ethanol, 2,2'-[oxybis(2,1-ethanediyloxy)]bis- [ACD/Index Name]

More...

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

110175_ALDRICH [DBID]

86660_FLUKA [DBID]

AI3-01838 [DBID]

BRN 1634320 [DBID]

BRN 1700198 [DBID]

C10 [DBID]

HSDB 843 [DBID]

HSDB 90 [DBID]

LI7 [DBID]

NSC 1262 [DBID]

More...

Experimental data
Predicted - ACD/Labs
Predicted - EPISuite
Predicted - ChemAxon
Predicted - Mcule

Experimental Physico-chemical Properties

Experimental Melting Point:

Experimental Boiling Point:

Experimental Flash Point:

Experimental Refraction Index:

1.459 Alfa Aesar B23880

1.459 Sigma-Aldrich ALDRICH-110175

Experimental Density:

Miscellaneous

Appearance:

liquid OU Chemical Safety Data (No longer updated) More details

Stability:

Toxicity:

Safety:

Gas Chromatography

Retention Index (Kovats):

1530 (estimated with error: 89) NIST Spectra mainlib_352130, replib_61421, replib_227915, replib_289338

Retention Index (Linear):

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

Density:	1.1±0.1 g/cm³
Boiling Point:	328.0±0.0 °C at 760 mmHg
Vapour Pressure:	0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization:	66.1±6.0 kJ/mol
Flash Point:	176.7±0.0 °C
Index of Refraction:	1.455
Molar Refractivity:	47.4±0.3 cm³
#H bond acceptors:	5
#H bond donors:	2
#Freely Rotating Bonds:	10
#Rule of 5 Violations:	0

ACD/LogP:	-2.23
ACD/LogD (pH 5.5):	-1.20
ACD/BCF (pH 5.5):	1.00
ACD/KOC (pH 5.5):	5.28
ACD/LogD (pH 7.4):	-1.20
ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 7.4):	5.28
Polar Surface Area:	68 Å²
Polarizability:	18.8±0.5 10^-24cm³
Surface Tension:	41.3±3.0 dyne/cm
Molar Volume:	174.7±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) =  -2.02

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  315.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  82.91  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.12E-005  (Modified Grain method)
    MP  (exp database):  -6.2 deg C
    BP  (exp database):  328 deg C
    VP  (exp database):  4.65E-05 mm Hg at 26 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -2.02 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+006 mg/L (20 deg C)
        Exper. Ref:  HANN,RWJR & JENSEN,PA (1977)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
    Wat Sol (Exper. database match) =  1000000.00
       Exper. Ref:  HANN,RWJR & JENSEN,PA (1977)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Surfactants-nonionic

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.91E-013  atm-m3/mole
   Group Method:   5.48E-019  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.862E-012 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -2.02  (KowWin est)
  Log Kaw used:  -10.697  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.677
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0695
   Biowin2 (Non-Linear Model)     :   0.0004
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0639  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7972  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8563
   Biowin6 (MITI Non-Linear Model):   0.8851
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5378
 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):  0.0062 Pa (4.65E-005 mm Hg)
  Log Koa (Koawin est  ): 8.677
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000484 
       Octanol/air (Koa) model:  0.000117 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0172 
       Mackay model           :  0.0373 
       Octanol/air (Koa) model:  0.00925 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  50.3685 E-12 cm3/molecule-sec
      Half-Life =     0.212 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.548 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0272 (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 = 0.500 (BCF = 3.162)
       log Kow used: -2.02 (estimated)

 Volatilization from Water:
    Henry LC:  4.91E-013 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.662E+009  hours   (6.924E+007 days)
    Half-Life from Model Lake : 1.813E+010  hours   (7.554E+008 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       1.18e-005       5.1          1000       
   Water     39              360          1000       
   Soil      60.9            720          1000       
   Sediment  0.0713          3.24e+003    0          
     Persistence Time: 579 hr

Click to predict properties on the Chemicalize site

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PEG-4

More details:

Experimental Melting Point:

Experimental Boiling Point:

Experimental Flash Point:

Experimental Refraction Index:

Experimental Density:

Appearance:

Stability:

Toxicity:

Safety:

Retention Index (Kovats):

Retention Index (Linear):

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