Chemical Properties of 2-Propenethioamide, 3-(4-chlorophenyl)-2-cyano-, (E)- (CAS 68029-53-8)

2-Propenethioamide, 3-(4-chlorophenyl)-2-cyano-, (E)-

InChI
InChI=1S/C10H7ClN2S/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H2,13,14)/b8-5+
InChI Key
RZHHDALLVIGWBS-VMPITWQZSA-N
Formula
C10H7ClN2S
SMILES
N#CC(=Cc1ccc(Cl)cc1)C(N)=S
Molecular Weight1
222.69
CAS
68029-53-8
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° 29.70 kJ/mol Joback Calculated Property
logPoct/wat 2.533 Crippen Calculated Property
McVol 159.350 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [356.96; 401.03] J/mol×K [746.18; 1017.18] Show Hide
Cp,gas 356.96 J/mol×K 746.18 Joback Calculated Property
Cp,gas 365.38 J/mol×K 791.35 Joback Calculated Property
Cp,gas 373.16 J/mol×K 836.51 Joback Calculated Property
Cp,gas 380.46 J/mol×K 881.68 Joback Calculated Property
Cp,gas 387.44 J/mol×K 926.85 Joback Calculated Property
Cp,gas 394.24 J/mol×K 972.02 Joback Calculated Property
Cp,gas 401.03 J/mol×K 1017.18 Joback Calculated Property

Similar Compounds

2-Propenethioamide, 3-(4-bromophenyl)-2-cyano-, (E)-. 2-Propenethioamide, 2-cyano-3-(4-fluorophenyl)-, (E)-. 2-Propenethioamide, 2-cyano-3-(3-methoxyphenyl)-. 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)-, (E)-. BENZENE, 1-CHLORO-4-(2,2-DICYANOETHENYL). Cinnamamide, .alpha.-cyano-m-nitrothio- (7CI). BENZENE, 1-CHLORO-4-(2-CYANO-2-PHENYLETHENYL). A-CHLOROBENZALMALONODINITRILE. «alpha»-(p-Chlorophenyl)cinnamonitrile. 3-Buten-2-one, 4-(4-chlorophenyl)-. Propanedinitrile, (phenylmethylene)-. m-Chlorobenzylidene-p-chlorophenylacetonitrile. p-Nitrobenzylidene-p-chlorophenylacetonitrile. p-Methoxybenzylidene-p-chlorophenylacetonitrile. Alpha-(p-chlorophenyl)-o-chlorocinnamonitrile.

Find more compounds similar to 2-Propenethioamide, 3-(4-chlorophenyl)-2-cyano-, (E)-.

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.
These property values are available through the Cheméo API. A free account gives you an access key.