Chemical Properties of 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)-, (E)- (CAS 68029-55-0)

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

InChI
InChI=1S/C10H7N3O2S/c11-6-8(10(12)16)5-7-1-3-9(4-2-7)13(14)15/h1-5H,(H2,12,16)/b8-5+
InChI Key
ZJUPLUDEWMWRRF-VMPITWQZSA-N
Formula
C10H7N3O2S
SMILES
N#CC(=Cc1ccc([N+](=O)[O-])cc1)C(N)=S
Molecular Weight1
233.25
CAS
68029-55-0
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Physical Properties

Property Value Unit Source
ΔfusH° 36.87 kJ/mol Joback Calculated Property
IE 8.79 eV Relay (1.0) Calculated Property
logPoct/wat 1.788 Crippen Calculated Property
McVol 164.530 ml/mol McGowan Calculated Property
Tfus 485.66 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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 [413.29; 460.22] J/mol×K [860.59; 1144.97] Show Hide
Cp,gas 413.29 J/mol×K 860.59 Joback Calculated Property
Cp,gas 421.47 J/mol×K 907.99 Joback Calculated Property
Cp,gas 429.26 J/mol×K 955.38 Joback Calculated Property
Cp,gas 436.84 J/mol×K 1002.78 Joback Calculated Property
Cp,gas 444.41 J/mol×K 1050.18 Joback Calculated Property
Cp,gas 452.14 J/mol×K 1097.57 Joback Calculated Property
Cp,gas 460.22 J/mol×K 1144.97 Joback Calculated Property

Similar Compounds

Cinnamamide, .alpha.-cyano-m-nitrothio- (7CI). 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano-, (E)-. 2-Propenethioamide, 3-(4-chlorophenyl)-2-cyano-, (E)-. 2-Propenethioamide, 2-cyano-3-(4-fluorophenyl)-, (E)-. 2-Propenethioamide, 2-cyano-3-(3-methoxyphenyl)-. NITROBENZENE, 4-(2-CYANO-2-PHENYLETHENYL). 4-Nitrocinnamaldehyde. NITROBENZENE, 3-(2,2-DICYANOETHENYL). p-Nitrobenzylidene-p-chlorophenylacetonitrile. P-nitro cinnamic acid, methyl ester. 4-Nitrocinnamic acid. p-Nitrobenzylidene-p-isopropylphenylacetonitrile. p-Nitrobenzylidene-2-methylphenylacetonitrile. 2-Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester. p-Nitrobenzylidene-2,5-dimethylphenylacetonitrile.

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

Sources

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