Chemical Properties of 5-Cyano-5-methyl-2-pyrrolidone

5-Cyano-5-methyl-2-pyrrolidone

InChI
InChI=1S/C6H8N2O/c1-6(4-7)3-2-5(9)8-6/h2-3H2,1H3,(H,8,9)
InChI Key
BXKKJJWDNAORNS-UHFFFAOYSA-N
Formula
C6H8N2O
SMILES
CC1(C#N)CCC(=O)N1
Molecular Weight1
124.14
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
ΔfusH° 9.54 kJ/mol Joback Calculated Property
logPoct/wat 0.179 Crippen Calculated Property
McVol 97.470 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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 [120.47; 326.33] 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 A-4.26900e+01
Coefficient B7.50520e-01
Coefficient C-6.27000e-04
Coefficient D2.45500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 120.47 J/mol×K 273.00 Calculated Property
Cp,gas 155.22 J/mol×K 353.78 Calculated Property
Cp,gas 185.20 J/mol×K 434.56 Calculated Property
Cp,gas 211.16 J/mol×K 515.33 Calculated Property
Cp,gas 233.90 J/mol×K 596.11 Calculated Property
Cp,gas 254.19 J/mol×K 676.89 Calculated Property
Cp,gas 272.80 J/mol×K 757.67 Calculated Property
Cp,gas 290.51 J/mol×K 838.44 Calculated Property
Cp,gas 308.09 J/mol×K 919.22 Calculated Property
Cp,gas 326.33 J/mol×K 1000.00 Calculated Property

Similar Compounds

5-METHYLPYRROLIDIN-2-ONE. Glutaric acid, monoamide, N-(1-adamantyl)-, ethyl ester. Glutaric acid, monoamide, N-(1-adamantyl)-, propyl ester. Glutaric acid, monoamide, N-(1-adamantyl)-, butyl ester. Glutaric acid, monoamide, N-(1-adamantyl)-, isobutyl ester. PYRROLIDIN-2-ONE, 5-[2-BUTYRYLETHYL]-. Glutaric acid, monoamide, N-(1-adamantyl)-, isohexyl ester. Propanamide, 3-cyclopentyl-N-(hept-2-yl)-. Glutaric acid, monoamide, N-(1-adamantyl)-, hexyl ester. Glutaric acid, monoamide, N-(1-adamantyl)-, pentyl ester. 2-Pyrrolidinone, 5-(cyclohexylmethyl)-. Glutaric acid, diamide, N,N'-di(2-octyl)-. 2H-Azepin-2-one, hexahydro-7-methyl-. FENOXANIL. 2-Methyl-2-heptadecaneamine TFA.

Find more compounds similar to 5-Cyano-5-methyl-2-pyrrolidone.

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.