Chemical Properties of Cyclopentanecarboxylic acid, 4-nitrophenyl ester

InChI

InChI=1S/C12H13NO4/c14-12(9-3-1-2-4-9)17-11-7-5-10(6-8-11)13(15)16/h5-9H,1-4H2

InChI Key

PDWMECLUAQUZCV-UHFFFAOYSA-N

Formula

C12H13NO4

SMILES

O=C(Oc1ccc([N+](=O)[O-])cc1)C1CCCC1

Molecular Weight¹

235.24

• 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°	-8.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-261.03	kJ/mol	Joback Calculated Property
ΔfusH°	28.57	kJ/mol	Joback Calculated Property
ΔvapH°	71.25	kJ/mol	Joback Calculated Property
log10WS	-3.76		Crippen Calculated Property
logPoct/wat	2.690		Crippen Calculated Property
McVol	170.180	ml/mol	McGowan Calculated Property
Pc	3032.27	kPa	Joback Calculated Property
Inp	[1904.00; 1904.00]
Inp	1904.00		NIST
Inp	1904.00		NIST
Tboil	749.03	K	Joback Calculated Property
Tc	1007.18	K	Joback Calculated Property
Tfus	490.61	K	Joback Calculated Property
Vc	0.646	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[486.24; 555.25]	J/mol×K	[749.03; 1007.18]
Cp,gas	486.24	J/mol×K	749.03	Joback Calculated Property
Cp,gas	500.92	J/mol×K	792.06	Joback Calculated Property
Cp,gas	514.25	J/mol×K	835.08	Joback Calculated Property
Cp,gas	526.29	J/mol×K	878.11	Joback Calculated Property
Cp,gas	537.09	J/mol×K	921.13	Joback Calculated Property
Cp,gas	546.73	J/mol×K	964.16	Joback Calculated Property
Cp,gas	555.25	J/mol×K	1007.18	Joback Calculated Property

Similar Compounds

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

Sources

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

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