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_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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-482.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.69	kJ/mol	Joback Calculated Property
ΔvapH°	55.44	kJ/mol	Relay (1.0) Calculated Property
IE	9.75	eV	Relay (1.0) Calculated Property
log10WS	-2.51		Relay (1.0) 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	1136.00		NIST
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	689.64	K	Relay (1.0) Calculated Property
Tfus	247.23	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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