Chemical Properties of Cyclohexanecarboxylic acid, 4-nitrophenyl ester

InChI

InChI=1S/C13H15NO4/c15-13(10-4-2-1-3-5-10)18-12-8-6-11(7-9-12)14(16)17/h6-10H,1-5H2

InChI Key

UCQFTYKBLBJWIO-UHFFFAOYSA-N

Formula

C13H15NO4

SMILES

O=C(Oc1ccc([N+](=O)[O-])cc1)C1CCCCC1

Molecular Weight¹

249.26

• 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°	-12.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-287.83	kJ/mol	Joback Calculated Property
ΔfusH°	29.06	kJ/mol	Joback Calculated Property
ΔvapH°	73.65	kJ/mol	Joback Calculated Property
log10WS	-4.18		Crippen Calculated Property
logPoct/wat	3.080		Crippen Calculated Property
McVol	184.270	ml/mol	McGowan Calculated Property
Pc	2808.38	kPa	Joback Calculated Property
Inp	[2023.00; 2023.00]
Inp	2023.00		NIST
Inp	2023.00		NIST
Tboil	776.18	K	Joback Calculated Property
Tc	1036.29	K	Joback Calculated Property
Tfus	498.36	K	Joback Calculated Property
Vc	0.695	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[542.68; 614.26]	J/mol×K	[776.18; 1036.29]
Cp,gas	542.68	J/mol×K	776.18	Joback Calculated Property
Cp,gas	558.26	J/mol×K	819.53	Joback Calculated Property
Cp,gas	572.31	J/mol×K	862.88	Joback Calculated Property
Cp,gas	584.88	J/mol×K	906.24	Joback Calculated Property
Cp,gas	596.03	J/mol×K	949.59	Joback Calculated Property
Cp,gas	605.80	J/mol×K	992.94	Joback Calculated Property
Cp,gas	614.26	J/mol×K	1036.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, 4-nitrophenyl ester.

Sources

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

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