Chemical Properties of Benzamide, n-butyl-2-chloro-n-cyanomethyl-4-nitro- (CAS 22977-94-2)

Benzamide, n-butyl-2-chloro-n-cyanomethyl-4-nitro-

InChI
InChI=1S/C13H14ClN3O3/c1-2-3-7-16(8-6-15)13(18)11-5-4-10(17(19)20)9-12(11)14/h4-5,9H,2-3,7-8H2,1H3
InChI Key
RTNZVWIHJYVKOO-UHFFFAOYSA-N
Formula
C13H14ClN3O3
SMILES
CCCCN(CC#N)C(=O)c1ccc([N+](=O)[O-])cc1Cl
Molecular Weight1
295.72
CAS
22977-94-2
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Physical Properties

Property Value Unit Source
ΔfusH° 44.37 kJ/mol Joback Calculated Property
logPoct/wat 3.014 Crippen Calculated Property
McVol 212.860 ml/mol McGowan Calculated Property

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [287.49; 623.43] 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 A1.78140e+01
Coefficient B1.17778e+00
Coefficient C-7.42220e-04
Coefficient D1.70060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 287.49 J/mol×K 273.00 Calculated Property
Cp,gas 349.12 J/mol×K 353.78 Calculated Property
Cp,gas 403.42 J/mol×K 434.56 Calculated Property
Cp,gas 450.93 J/mol×K 515.33 Calculated Property
Cp,gas 492.18 J/mol×K 596.11 Calculated Property
Cp,gas 527.71 J/mol×K 676.89 Calculated Property
Cp,gas 558.07 J/mol×K 757.67 Calculated Property
Cp,gas 583.78 J/mol×K 838.44 Calculated Property
Cp,gas 605.39 J/mol×K 919.22 Calculated Property
Cp,gas 623.43 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzamide, 2-chloro-n-(cyanomethyl)-4-nitro-n-propyl-. Benzamide, 2-chloro-n-(cyanomethyl)-n-cyclohexyl-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, 4-nitro-N-ethyl-N-butyl-. Isonipecotic acid, N-(4-nitrobenzoyl)-, pentyl ester. Isonipecotic acid, N-(4-nitrobenzoyl)-, propyl ester. Isonipecotic acid, N-(4-nitrobenzoyl)-, octyl ester. Isonipecotic acid, N-(4-nitrobenzoyl)-, hexyl ester. Isonipecotic acid, N-(4-nitrobenzoyl)-, nonyl ester. Isonipecotic acid, N-(4-nitrobenzoyl)-, heptyl ester. Isonipecotic acid, N-(4-nitrobenzoyl)-, butyl ester.

Find more compounds similar to Benzamide, n-butyl-2-chloro-n-cyanomethyl-4-nitro-.

Sources

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