Acetamide

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

Experimental Physico-chemical Properties

Experimental Boiling Point:

Experimental Flash Point:

154.4 °C Wikidata Q421721
Experimental Refraction Index:

1.4274 Kaye & Laby (No longer updated)

Experimental Density:

Predicted Physico-chemical Properties
- Predicted Melting Point:
  
  81 °C TCI
  
  81 °C TCI A0007

Miscellaneous

Appearance:

colourless deliquescent crystals OU Chemical Safety Data (No longer updated) More details

Chemical Class:

Gas Chromatography

Retention Index (Kovats):

629 (estimated with error: 83) NIST Spectra mainlib_291227, replib_18975, replib_228475

Retention Index (Normal Alkane):

764 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 40 C; End T: 260 C; CAS no: 60355; Active phase: DB-1; Carrier gas: He; Phase thickness: 1 um; Data type: Normal alkane RI; Authors: Chen, J.; Wang, M.; Ho, C.-T., Volatile compounds generated from thermal degradation of N-acetylglucosamine, J. Agric. Food Chem., 46, 1998, 3207-3209.) NIST Spectra nist ri

1738 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 40 C; End T: 220 C; End time: 10 min; Start time: 5 min; CAS no: 60355; Active phase: RTX-Wax; Carrier gas: He; Phase thickness: 0.5 um; Data type: Normal alkane RI; Authors: Prososki, R.A.; Etzel, M.R.; Rankin, S.A., Solvent type affects the number, distribution, and relative quantities of volatile compounds found in sweet whey powder, J. Dairy Sci., 90, 2007, 523-531.) NIST Spectra nist ri

1763 (Program type: Complex; Column... (show more) class: Standard polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Description: 60 0C (3 min) ^ 2 0C/min -> 150 0C ^ 4 0C/min -> 200 0C; CAS no: 60355; Active phase: DB-Wax; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Kim. J.H.; Ahn, H.J.; Yook, H.S.; Kim, K.S.; Rhee, M.S.; Ryu, G.H.; Byun, M.W., Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce, Radiation Phys. Chem., 69, 2004, 179-187.) NIST Spectra nist ri

1763.9 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 240 C; Start time: 2 min; CAS no: 60355; Active phase: Supelcowax-10; Carrier gas: He; Phase thickness: 0.32 um; Data type: Normal alkane RI; Authors: Barrio, M.E.; Lliberia, J.Ll.; Comellas, L.; Broto-Puig, F., Pyrolysis-gas chromatography applied to the study of organic matter evolution in sewage sludge-amended soils using nitrogen-phosphorus, flame ionization and mass spectrometric detection, J. Chromatogr. A, 719, 1996, 131-139.) NIST Spectra nist ri

1764 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 70 C; End T: 160 C; Start time: 8 min; CAS no: 60355; Active phase: DB-Wax; Carrier gas: He; Data type: Normal alkane RI; Authors: Wong, J.M.; Bernhard, R.A., Effect of nitrogen source on pyrazine formation, J. Agric. Food Chem., 36(1), 1988, 123-129.) NIST Spectra nist ri

Retention Index (Linear):

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

Density:	1.0±0.1 g/cm³
Boiling Point:	78.4±23.0 °C at 760 mmHg
Vapour Pressure:	62.4±0.3 mmHg at 25°C
Enthalpy of Vaporization:	37.2±6.0 kJ/mol
Flash Point:	1.2±22.6 °C
Index of Refraction:	1.418
Molar Refractivity:	14.3±0.5 cm³
#H bond acceptors:	2
#H bond donors:	2
#Freely Rotating Bonds:	0
#Rule of 5 Violations:	0

ACD/LogP:	-0.91
ACD/LogD (pH 5.5):	-2.91
ACD/BCF (pH 5.5):	1.00
ACD/KOC (pH 5.5):	1.00
ACD/LogD (pH 7.4):	-2.95
ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 7.4):	1.00
Polar Surface Area:	44 Å²
Polarizability:	5.7±0.5 10^-24cm³
Surface Tension:	33.6±7.0 dyne/cm
Molar Volume:	56.9±7.0 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) =  -1.16
    Log Kow (Exper. database match) =  -1.26
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  177.41  (Adapted Stein & Brown method)
    Melting Pt (deg C):  11.01  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0323  (Modified Grain method)
    MP  (exp database):  81 deg C
    BP  (exp database):  222 deg C
    VP  (exp database):  4.00E-02 mm Hg at 25 deg C
    Subcooled liquid VP: 0.143 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -1.26 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2.25e+006 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
    Wat Sol (Exper. database match) =  2250000.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.12E-008  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 4.41E-09  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.510E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.26  (exp database)
  Log Kaw used:  -6.744  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.484
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9296
   Biowin2 (Non-Linear Model)     :   0.9923
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0144  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9679  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6635
   Biowin6 (MITI Non-Linear Model):   0.8489
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1886
 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):  19.1 Pa (0.143 mm Hg)
  Log Koa (Koawin est  ): 5.484
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.57E-007 
       Octanol/air (Koa) model:  7.48E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.68E-006 
       Mackay model           :  1.26E-005 
       Octanol/air (Koa) model:  5.99E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.1020 E-12 cm3/molecule-sec
      Half-Life =     5.088 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    61.062 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 9.14E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5.412
      Log Koc:  0.733 

 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: -1.26 (expkow database)

 Volatilization from Water:
    Henry LC:  4.41E-009 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:  1.02E+005  hours   (4252 days)
    Half-Life from Model Lake : 1.113E+006  hours   (4.638E+004 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       0.103           122          1000       
   Water     39.1            360          1000       
   Soil      60.7            720          1000       
   Sediment  0.0716          3.24e+003    0          
     Persistence Time: 573 hr

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More details:

Experimental Melting Point:

Experimental Boiling Point:

Experimental Flash Point:

Experimental Refraction Index:

Experimental Density:

Predicted Melting Point:

Appearance:

Stability:

Toxicity:

Safety:

Chemical Class:

Retention Index (Kovats):

Retention Index (Normal Alkane):

Retention Index (Linear):

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