Chemical Properties of Cyclohexaneacetic acid, α-ethyl-, methyl ester

InChI

InChI=1S/C11H20O2/c1-3-10(11(12)13-2)9-7-5-4-6-8-9/h9-10H,3-8H2,1-2H3

InChI Key

RCYYXYWVLKXHNT-UHFFFAOYSA-N

Formula

C11H20O2

SMILES

CCC(C(=O)OC)C1CCCCC1

Molecular Weight¹

184.28

Other Names

• M 3915

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[216.74; 580.55]	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			-4.89890e+01
Coefficient B			1.12204e+00
Coefficient C			-5.64200e-04
Coefficient D			7.17000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.74	J/mol×K	273.00	Calculated Property
Cp,gas	280.52	J/mol×K	353.78	Calculated Property
Cp,gas	337.94	J/mol×K	434.56	Calculated Property
Cp,gas	389.21	J/mol×K	515.33	Calculated Property
Cp,gas	434.57	J/mol×K	596.11	Calculated Property
Cp,gas	474.24	J/mol×K	676.89	Calculated Property
Cp,gas	508.44	J/mol×K	757.67	Calculated Property
Cp,gas	537.41	J/mol×K	838.44	Calculated Property
Cp,gas	561.37	J/mol×K	919.22	Calculated Property
Cp,gas	580.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0110997; 0.0002161]	Pa×s	[248.44; 512.85]	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			-1.21405e+01
Coefficient B			1.89801e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			248.44
Temperature range, max.			512.85
η	0.0110997	Pa×s	248.44	Calculated Property
η	0.0049482	Pa×s	277.82	Calculated Property
η	0.0025745	Pa×s	307.20	Calculated Property
η	0.0015014	Pa×s	336.58	Calculated Property
η	0.0009547	Pa×s	365.96	Calculated Property
η	0.0006494	Pa×s	395.33	Calculated Property
η	0.0004659	Pa×s	424.71	Calculated Property
η	0.0003489	Pa×s	454.09	Calculated Property
η	0.0002706	Pa×s	483.47	Calculated Property
η	0.0002161	Pa×s	512.85	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexaneacetic acid, α-ethyl-, methyl ester.

Sources

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

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