Chemical Properties of Cyclohexanecarboxylic acid, ethyl ester (CAS 3289-28-9)

InChI

InChI=1S/C9H16O2/c1-2-11-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3

InChI Key

JJOYCHKVKWDMEA-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

CCOC(=O)C1CCCCC1

Molecular Weight¹

156.22

CAS

3289-28-9

Other Names

• Ethyl cyclohexanecarboxylate
• Ethyl cyclohexylmethanoate
• Ethyl cyclohexanoate
• Ethyl cyclohexanocarboxylate
• Ethyl cyclohexylformate
• NSC 5298

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• I : 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°	-184.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-419.57	kJ/mol	Joback Calculated Property
ΔfusH°	13.69	kJ/mol	Joback Calculated Property
ΔvapH°	45.21	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	2982.79	kPa	Joback Calculated Property
Inp	[1105.82; 1174.00]
Inp	1105.82		NIST
Inp	1108.49		NIST
Inp	1130.00		NIST
Inp	1170.00		NIST
Inp	1174.00		NIST
Inp	1136.00		NIST
Inp	1136.00		NIST
Inp	1131.00		NIST
Inp	1131.00		NIST
I	[1404.00; 1429.00]
I	1429.00		NIST
I	1428.00		NIST
I	1413.00		NIST
I	1404.00		NIST
I	1407.00		NIST
I	1424.00		NIST
I	1414.00		NIST
I	1429.00		NIST
Tboil	469.70 ± 1.00	K	NIST
Tc	709.61	K	Joback Calculated Property
Tfus	270.73	K	Joback Calculated Property
Vc	0.496	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[308.34; 398.17]	J/mol×K	[501.16; 709.61]
Cp,gas	308.34	J/mol×K	501.16	Joback Calculated Property
Cp,gas	325.39	J/mol×K	535.90	Joback Calculated Property
Cp,gas	341.59	J/mol×K	570.64	Joback Calculated Property
Cp,gas	356.96	J/mol×K	605.38	Joback Calculated Property
Cp,gas	371.51	J/mol×K	640.12	Joback Calculated Property
Cp,gas	385.24	J/mol×K	674.87	Joback Calculated Property
Cp,gas	398.17	J/mol×K	709.61	Joback Calculated Property
Cp,liquid	271.50	J/mol×K	298.15	NIST
η	[0.0002611; 0.0043071]	Pa×s	[270.73; 501.16]
η	0.0043071	Pa×s	270.73	Joback Calculated Property
η	0.0020196	Pa×s	309.13	Joback Calculated Property
η	0.0011196	Pa×s	347.54	Joback Calculated Property
η	0.0006979	Pa×s	385.94	Joback Calculated Property
η	0.0004740	Pa×s	424.35	Joback Calculated Property
η	0.0003432	Pa×s	462.75	Joback Calculated Property
η	0.0002611	Pa×s	501.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, ethyl ester.

Sources

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

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