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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [266.28; 571.84] 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 A1.87230e+01
Coefficient B1.08278e+00
Coefficient C-6.87820e-04
Coefficient D1.58160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 266.28 J/mol×K 273.00 Calculated Property
Cp,gas 322.70 J/mol×K 353.78 Calculated Property
Cp,gas 372.34 J/mol×K 434.56 Calculated Property
Cp,gas 415.70 J/mol×K 515.33 Calculated Property
Cp,gas 453.27 J/mol×K 596.11 Calculated Property
Cp,gas 485.55 J/mol×K 676.89 Calculated Property
Cp,gas 513.05 J/mol×K 757.67 Calculated Property
Cp,gas 536.27 J/mol×K 838.44 Calculated Property
Cp,gas 555.70 J/mol×K 919.22 Calculated Property
Cp,gas 571.84 J/mol×K 1000.00 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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