Chemical Properties of Cyclopentanecarboxylic acid, 4-cyanophenyl ester

InChI

InChI=1S/C13H13NO2/c14-9-10-5-7-12(8-6-10)16-13(15)11-3-1-2-4-11/h5-8,11H,1-4H2

InChI Key

ROZSAQJIZMVUKD-UHFFFAOYSA-N

Formula

C13H13NO2

SMILES

N#Cc1ccc(OC(=O)C2CCCC2)cc1

Molecular Weight¹

215.25

• 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°	97.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-106.03	kJ/mol	Joback Calculated Property
ΔfusH°	21.31	kJ/mol	Joback Calculated Property
ΔvapH°	67.36	kJ/mol	Joback Calculated Property
log10WS	-3.47		Crippen Calculated Property
logPoct/wat	2.654		Crippen Calculated Property
McVol	168.230	ml/mol	McGowan Calculated Property
Pc	2632.55	kPa	Joback Calculated Property
Inp	[1779.00; 1779.00]
Inp	1779.00		NIST
Inp	1779.00		NIST
Tboil	722.15	K	Joback Calculated Property
Tc	966.93	K	Joback Calculated Property
Tfus	423.26	K	Joback Calculated Property
Vc	0.646	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[460.05; 529.23]	J/mol×K	[722.15; 966.93]
Cp,gas	460.05	J/mol×K	722.15	Joback Calculated Property
Cp,gas	474.38	J/mol×K	762.95	Joback Calculated Property
Cp,gas	487.52	J/mol×K	803.74	Joback Calculated Property
Cp,gas	499.54	J/mol×K	844.54	Joback Calculated Property
Cp,gas	510.46	J/mol×K	885.34	Joback Calculated Property
Cp,gas	520.35	J/mol×K	926.14	Joback Calculated Property
Cp,gas	529.23	J/mol×K	966.93	Joback Calculated Property

Similar Compounds

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

Sources

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

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