Chemical Properties of Benzamide, 2-chloro-n-(cyanomethyl)-4-nitro-n-propyl-

Benzamide, 2-chloro-n-(cyanomethyl)-4-nitro-n-propyl-

InChI
InChI=1S/C12H12ClN3O3/c1-2-6-15(7-5-14)12(17)10-4-3-9(16(18)19)8-11(10)13/h3-4,8H,2,6-7H2,1H3
InChI Key
YPTXIFWZSOODGM-UHFFFAOYSA-N
Formula
C12H12ClN3O3
SMILES
CCCN(CC#N)C(=O)c1ccc([N+](=O)[O-])cc1Cl
Molecular Weight1
281.70
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Physical Properties

Property Value Unit Source
ΔfusH° 41.78 kJ/mol Joback Calculated Property
log10WS -4.71 Relay (1.0) Calculated Property
logPoct/wat 2.624 Crippen Calculated Property
McVol 198.770 ml/mol McGowan Calculated Property
Tfus 360.18 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, Ionization energy 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 [543.90; 589.45] J/mol×K [868.46; 1110.00] Show Hide
Cp,gas 543.90 J/mol×K 868.46 Joback Calculated Property
Cp,gas 553.37 J/mol×K 908.72 Joback Calculated Property
Cp,gas 562.00 J/mol×K 948.97 Joback Calculated Property
Cp,gas 569.86 J/mol×K 989.23 Joback Calculated Property
Cp,gas 577.02 J/mol×K 1029.49 Joback Calculated Property
Cp,gas 583.53 J/mol×K 1069.74 Joback Calculated Property
Cp,gas 589.45 J/mol×K 1110.00 Joback Calculated Property

Similar Compounds

Benzamide, n-butyl-2-chloro-n-cyanomethyl-4-nitro-. Benzamide, 2-chloro-n-cyanomethyl-n-cyclopropyl-4-nitro-. Benzamide, 2-chloro-n-cyanoethyl-n-ethyl-4-nitro-. Benzamide, 2-chloro-n-(cyanomethyl)-n-ethyl-4-nitro-. Benzamide, 2-chloro-n-(cyanoethyl)-n-methyl-4-nitro-. Benzamide, 2-chloro-n-cyanomethyl-n-(2-ethoxyethyl)-4-nitro-. Benzamide, 2-chloro-n-(cyanomethyl)-n-cyclohexyl-4-nitro-. Benzamide, 4-nitro-N-ethyl-N-propyl-. Benzamide, 4-nitro-N-ethyl-N-isobutyl-. Benzamide, 4-nitro-N-ethyl-N-butyl-. Isonipecotic acid, N-(4-nitrobenzoyl)-, pentyl ester. Isonipecotic acid, N-(2-chlorobenzoyl)-, ethyl ester. Isonipecotic acid, N-(4-nitrobenzoyl)-, propyl ester. Isonipecotic acid, N-(4-nitrobenzoyl)-, hexyl ester. Isonipecotic acid, N-(4-nitrobenzoyl)-, octyl ester.

Find more compounds similar to Benzamide, 2-chloro-n-(cyanomethyl)-4-nitro-n-propyl-.

Sources

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