Chemical Properties of Glutaric acid, 2-(cyclohexyl)ethyl 3-methylbut-2-yl ester

InChI

InChI=1S/C18H32O4/c1-14(2)15(3)22-18(20)11-7-10-17(19)21-13-12-16-8-5-4-6-9-16/h14-16H,4-13H2,1-3H3

InChI Key

WVNZZSDRVSDIRR-UHFFFAOYSA-N

Formula

C18H32O4

SMILES

CC(C)C(C)OC(=O)CCCC(=O)OCCC1CCCCC1

Molecular Weight¹

312.45

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	35.90	kJ/mol	Joback Calculated Property
logPoct/wat	4.258		Crippen Calculated Property
McVol	268.500	ml/mol	McGowan Calculated Property
Inp	[2093.00; 2093.00]
Inp	2093.00		NIST
Inp	2093.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[381.26; 950.33]	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			-3.16250e+01
Coefficient B			1.73816e+00
Coefficient C			-8.53600e-04
Coefficient D			9.74000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	381.26	J/mol×K	273.00	Calculated Property
Cp,gas	480.77	J/mol×K	353.78	Calculated Property
Cp,gas	570.50	J/mol×K	434.56	Calculated Property
Cp,gas	650.75	J/mol×K	515.33	Calculated Property
Cp,gas	721.82	J/mol×K	596.11	Calculated Property
Cp,gas	784.02	J/mol×K	676.89	Calculated Property
Cp,gas	837.67	J/mol×K	757.67	Calculated Property
Cp,gas	883.06	J/mol×K	838.44	Calculated Property
Cp,gas	920.52	J/mol×K	919.22	Calculated Property
Cp,gas	950.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0041238; 0.0000846]	Pa×s	[354.66; 659.05]	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			-1.39066e+01
Coefficient B			2.98467e+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.			354.66
Temperature range, max.			659.05
η	0.0041238	Pa×s	354.66	Calculated Property
η	0.0019820	Pa×s	388.48	Calculated Property
η	0.0010712	Pa×s	422.30	Calculated Property
η	0.0006343	Pa×s	456.12	Calculated Property
η	0.0004038	Pa×s	489.94	Calculated Property
η	0.0002724	Pa×s	523.77	Calculated Property
η	0.0001928	Pa×s	557.59	Calculated Property
η	0.0001420	Pa×s	591.41	Calculated Property
η	0.0001081	Pa×s	625.23	Calculated Property
η	0.0000846	Pa×s	659.05	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(cyclohexyl)ethyl 3-methylbut-2-yl ester.

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
• 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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