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

InChI

InChI=1S/C12H14N2O3/c15-12(9-4-1-2-5-9)13-10-6-3-7-11(8-10)14(16)17/h3,6-9H,1-2,4-5H2,(H,13,15)

InChI Key

YOMYHKWKZLGNIO-UHFFFAOYSA-N

Formula

C12H14N2O3

SMILES

O=C(Nc1cccc([N+](=O)[O-])c1)C1CCCC1

Molecular Weight¹

234.25

• 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°	185.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-75.34	kJ/mol	Joback Calculated Property
ΔfusH°	32.48	kJ/mol	Joback Calculated Property
ΔvapH°	75.27	kJ/mol	Joback Calculated Property
log10WS	-3.65		Crippen Calculated Property
logPoct/wat	2.723		Crippen Calculated Property
McVol	174.290	ml/mol	McGowan Calculated Property
Pc	3135.00	kPa	Joback Calculated Property
Inp	[2236.00; 2236.00]
Inp	2236.00		NIST
Inp	2236.00		NIST
Tboil	776.78	K	Joback Calculated Property
Tc	1035.16	K	Joback Calculated Property
Tfus	521.04	K	Joback Calculated Property
Vc	0.663	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[511.74; 579.23]	J/mol×K	[776.78; 1035.16]
Cp,gas	511.74	J/mol×K	776.78	Joback Calculated Property
Cp,gas	525.97	J/mol×K	819.84	Joback Calculated Property
Cp,gas	538.88	J/mol×K	862.91	Joback Calculated Property
Cp,gas	550.57	J/mol×K	905.97	Joback Calculated Property
Cp,gas	561.12	J/mol×K	949.03	Joback Calculated Property
Cp,gas	570.65	J/mol×K	992.10	Joback Calculated Property
Cp,gas	579.23	J/mol×K	1035.16	Joback Calculated Property

Similar Compounds

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

Sources

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

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