Chemical Properties of Cyclopentane-1-carboxylic acid, 1-ethyl, methyl ester

InChI

InChI=1S/C9H16O2/c1-3-9(8(10)11-2)6-4-5-7-9/h3-7H2,1-2H3

InChI Key

ADUGONOVZSGHBC-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

CCC1(C(=O)OC)CCCC1

Molecular Weight¹

156.22

Other Names

• Cyclopentanecarboxylic acid, 1-ethyl, methyl ester

• 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°	-177.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-398.17	kJ/mol	Joback Calculated Property
ΔfusH°	9.49	kJ/mol	Joback Calculated Property
ΔvapH°	43.89	kJ/mol	Joback Calculated Property
log10WS	-2.11		Crippen Calculated Property
logPoct/wat	2.130		Crippen Calculated Property
McVol	134.250	ml/mol	McGowan Calculated Property
Pc	3049.04	kPa	Joback Calculated Property
Inp	[1017.00; 1017.00]
Inp	1017.00		NIST
Inp	1017.00		NIST
Tboil	497.13	K	Joback Calculated Property
Tc	706.51	K	Joback Calculated Property
Tfus	298.15	K	Joback Calculated Property
Vc	0.502	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[308.52; 391.83]	J/mol×K	[497.13; 706.51]
Cp,gas	308.52	J/mol×K	497.13	Joback Calculated Property
Cp,gas	324.57	J/mol×K	532.03	Joback Calculated Property
Cp,gas	339.62	J/mol×K	566.92	Joback Calculated Property
Cp,gas	353.78	J/mol×K	601.82	Joback Calculated Property
Cp,gas	367.14	J/mol×K	636.72	Joback Calculated Property
Cp,gas	379.79	J/mol×K	671.61	Joback Calculated Property
Cp,gas	391.83	J/mol×K	706.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentane-1-carboxylic acid, 1-ethyl, methyl ester.

Sources

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

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