Chemical Properties of Cyclohexyl propionate

InChI

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

InChI Key

MAMMVUWCKMOLSG-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

CCC(=O)OC1CCCCC1

Molecular Weight¹

156.23

Other Names

• Cyclohexyl n-propionate
• Propionic acid cyclohexyl ester
• cyclohexyl propanoate
• propanoic acid, cyclohexyl ester
• propionic acid, cyclohexyl ester

• C_p,gas : Ideal gas 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point 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	-501.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.69	kJ/mol	Joback Calculated Property
ΔvapH°	[54.30; 59.40]	kJ/mol
ΔvapH°	55.90 ± 0.10	kJ/mol	NIST
ΔvapH°	59.40 ± 0.80	kJ/mol	NIST
ΔvapH°	56.40 ± 0.50	kJ/mol	NIST
ΔvapH°	54.30 ± 0.40	kJ/mol	NIST
ΔvapH°	56.80	kJ/mol	NIST
log10WS	-2.21		Relay (1.0) Calculated Property
logPoct/wat	2.272		Crippen Calculated Property
McVol	134.250	ml/mol	McGowan Calculated Property
Inp	[1111.00; 1120.00]
Inp	1111.00		NIST
Inp	1120.00		NIST
Inp	1111.00		NIST
I	1408.00		NIST
Tboil	463.50	K	Relay (1.0) Calculated Property
Tfus	222.62	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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
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
ΔvapH	55.73	kJ/mol	300.55	Comprehensive Study of Vapor Pressures and Enthalpies of Vaporization of Cyclohexyl Esters

Similar Compounds

Find more compounds similar to Cyclohexyl propionate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Comprehensive Study of Vapor Pressures and Enthalpies of Vaporization of Cyclohexyl Esters
• Joback Method
• McGowan Method
• NIST Webbook

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