Chemical Properties of Cyclohexanecarboxamide, N-(3-nitrophenyl)-

InChI

InChI=1S/C13H16N2O3/c16-13(10-5-2-1-3-6-10)14-11-7-4-8-12(9-11)15(17)18/h4,7-10H,1-3,5-6H2,(H,14,16)

InChI Key

NXZZAYCXUXBWPA-UHFFFAOYSA-N

Formula

C13H16N2O3

SMILES

O=C(Nc1cccc([N+](=O)[O-])c1)C1CCCCC1

Molecular Weight¹

248.28

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	181.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-102.14	kJ/mol	Joback Calculated Property
ΔfusH°	32.97	kJ/mol	Joback Calculated Property
ΔvapH°	77.67	kJ/mol	Joback Calculated Property
log10WS	-4.07		Crippen Calculated Property
logPoct/wat	3.114		Crippen Calculated Property
McVol	188.380	ml/mol	McGowan Calculated Property
Pc	2899.85	kPa	Joback Calculated Property
Inp	[2345.00; 2345.00]
Inp	2345.00		NIST
Inp	2345.00		NIST
Tboil	803.93	K	Joback Calculated Property
Tc	1064.17	K	Joback Calculated Property
Tfus	528.79	K	Joback Calculated Property
Vc	0.712	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[568.97; 638.62]	J/mol×K	[803.93; 1064.17]
Cp,gas	568.97	J/mol×K	803.93	Joback Calculated Property
Cp,gas	583.98	J/mol×K	847.30	Joback Calculated Property
Cp,gas	597.52	J/mol×K	890.68	Joback Calculated Property
Cp,gas	609.66	J/mol×K	934.05	Joback Calculated Property
Cp,gas	620.50	J/mol×K	977.42	Joback Calculated Property
Cp,gas	630.13	J/mol×K	1020.80	Joback Calculated Property
Cp,gas	638.62	J/mol×K	1064.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxamide, N-(3-nitrophenyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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