Chemical Properties of Propanedinitrile, (acetyloxy)methyl-

Propanedinitrile, (acetyloxy)methyl-

InChI
InChI=1S/C6H6N2O2/c1-5(9)10-6(2,3-7)4-8/h1-2H3
InChI Key
OSNAAKXQIFQLNS-UHFFFAOYSA-N
Formula
C6H6N2O2
SMILES
CC(=O)OC(C)(C#N)C#N
Molecular Weight1
138.13
Other Names
  • Tartrononitrile, methyl-, acetate (ester)
  • «alpha»,«alpha»-Dicyanoethyl acetate
  • Malononitrile, hydroxymethyl-, acetate (ester)
  • 1-Acetoxxy-1,1-dicyanoethane
  • 1-Acetoxy-1,1-dicyanoethane
  • 1,1-Dicyanoethyl acetate
  • 2-Acetoxyisosuccinodinitrile
  • Tartrononitrile, methyl-, acetate
  • Acetic acid 1,1-dicyanoethyl ester
  • 1,1-Dikyanethylester kyseliny octove
  • Methylacetoxymalonitrile
  • Methylacetoxymalononitrile
  • NSC 6394
  • Propanedinitrile, 2-(acetyloxy)-2-methyl-
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfH°gas -128.16 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 11.26 kJ/mol Joback Calculated Property
ΔvapH° 59.12 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 0.355 Crippen Calculated Property
McVol 105.600 ml/mol McGowan Calculated Property
Pc 3018.96 kPa Joback Calculated Property
Tboil 433.20 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [150.40; 291.41] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.23700e+01
Coefficient B5.14440e-01
Coefficient C-3.17800e-04
Coefficient D6.24000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 150.40 J/mol×K 273.00 Calculated Property
Cp,gas 177.35 J/mol×K 353.78 Calculated Property
Cp,gas 201.03 J/mol×K 434.56 Calculated Property
Cp,gas 221.62 J/mol×K 515.33 Calculated Property
Cp,gas 239.32 J/mol×K 596.11 Calculated Property
Cp,gas 254.33 J/mol×K 676.89 Calculated Property
Cp,gas 266.85 J/mol×K 757.67 Calculated Property
Cp,gas 277.07 J/mol×K 838.44 Calculated Property
Cp,gas 285.19 J/mol×K 919.22 Calculated Property
Cp,gas 291.41 J/mol×K 1000.00 Calculated Property

Similar Compounds

Acetic acid, 1,1-dimethylethyl ester. Acetic acid, chloro-, 1,1-dimethylethyl ester. Acetic acid, bromo-, 1,1-dimethylethyl ester. Acetic acid, dichloro-, 1,1-dimethylethyl ester. Acetic acid, trifluoro-, 1,1-dimethylethyl ester. 2-Acetoxyisobutyryl chloride. Acetic acid, trichloro-, 1,1-dimethylethyl ester. Acetic acid, dibromo, 1,1-dimethylethyl ester. Propanoic acid, 1,1-dimethylethyl ester. tert-Butyl acrylate. Di-t-butyl malonate. Acetic acid, tribromo, 1,1-dimethylethyl ester. Isopropyl acetate. Propanoic acid, 3-chloro, 1,1-dimethylethyl ester. Acetic acid, trifluoro-, 2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl ester.

Find more compounds similar to Propanedinitrile, (acetyloxy)methyl-.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.