Chemical Properties of Methylcyclohexylacetate (CAS 14352-61-5)

InChI

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

InChI Key

IMXBRVLCKXGWSS-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

COC(=O)CC1CCCCC1

Molecular Weight¹

156.22

CAS

14352-61-5

Other Names

• Cyclohexaneacetic acid, methyl 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[174.62; 476.83]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.54890e+01
Coefficient B			9.26120e-01
Coefficient C			-4.52200e-04
Coefficient D			4.84000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.62	J/mol×K	273.00	Calculated Property
Cp,gas	227.70	J/mol×K	353.78	Calculated Property
Cp,gas	275.54	J/mol×K	434.56	Calculated Property
Cp,gas	318.31	J/mol×K	515.33	Calculated Property
Cp,gas	356.15	J/mol×K	596.11	Calculated Property
Cp,gas	389.21	J/mol×K	676.89	Calculated Property
Cp,gas	417.66	J/mol×K	757.67	Calculated Property
Cp,gas	441.65	J/mol×K	838.44	Calculated Property
Cp,gas	461.32	J/mol×K	919.22	Calculated Property
Cp,gas	476.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0079578; 0.0002471]	Pa×s	[240.90; 482.09]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.17737e+01
Coefficient B			1.67187e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			240.90
Temperature range, max.			482.09
η	0.0079578	Pa×s	240.90	Calculated Property
η	0.0039725	Pa×s	267.70	Calculated Property
η	0.0022504	Pa×s	294.50	Calculated Property
η	0.0014016	Pa×s	321.30	Calculated Property
η	0.0009389	Pa×s	348.09	Calculated Property
η	0.0006661	Pa×s	374.89	Calculated Property
η	0.0004947	Pa×s	401.69	Calculated Property
η	0.0003813	Pa×s	428.49	Calculated Property
η	0.0003031	Pa×s	455.29	Calculated Property
η	0.0002471	Pa×s	482.09	Calculated Property

Similar Compounds

Find more compounds similar to Methylcyclohexylacetate.

Sources

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

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