Chemical Properties of Glutaric acid, 2-methylpent-3-yl trans-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C21H38O4/c1-7-18(15(2)3)25-20(23)10-8-9-19(22)24-17-13-11-16(12-14-17)21(4,5)6/h15-18H,7-14H2,1-6H3

InChI Key

QVZJCFNTXDRNQP-UHFFFAOYSA-N

Formula

C21H38O4

SMILES

CCC(OC(=O)CCCC(=O)OC1CCC(C(C)(C)C)CC1)C(C)C

Molecular Weight¹

354.52

• 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).
• Δ_vapH° : Enthalpy of vaporization 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°	37.33	kJ/mol	Joback Calculated Property
ΔvapH°	94.66	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.283		Crippen Calculated Property
McVol	310.770	ml/mol	McGowan Calculated Property
Inp	[2356.00; 2356.00]
Inp	2356.00		NIST
Inp	2356.00		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, 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	[445.70; 1113.23]	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			-5.28860e+01
Coefficient B			2.12252e+00
Coefficient C			-1.13320e-03
Coefficient D			1.76800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	445.70	J/mol×K	273.00	Calculated Property
Cp,gas	564.01	J/mol×K	353.78	Calculated Property
Cp,gas	669.98	J/mol×K	434.56	Calculated Property
Cp,gas	764.17	J/mol×K	515.33	Calculated Property
Cp,gas	847.14	J/mol×K	596.11	Calculated Property
Cp,gas	919.45	J/mol×K	676.89	Calculated Property
Cp,gas	981.65	J/mol×K	757.67	Calculated Property
Cp,gas	1034.31	J/mol×K	838.44	Calculated Property
Cp,gas	1077.99	J/mol×K	919.22	Calculated Property
Cp,gas	1113.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026037; 0.0000579]	Pa×s	[386.65; 704.73]	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			-1.43822e+01
Coefficient B			3.26000e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			386.65
Temperature range, max.			704.73
η	0.0026037	Pa×s	386.65	Calculated Property
η	0.0012851	Pa×s	421.99	Calculated Property
η	0.0007074	Pa×s	457.33	Calculated Property
η	0.0004242	Pa×s	492.68	Calculated Property
η	0.0002724	Pa×s	528.02	Calculated Property
η	0.0001849	Pa×s	563.36	Calculated Property
η	0.0001314	Pa×s	598.70	Calculated Property
η	0.0000970	Pa×s	634.04	Calculated Property
η	0.0000740	Pa×s	669.39	Calculated Property
η	0.0000579	Pa×s	704.73	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methylpent-3-yl trans-4-tert-butylcyclohexyl 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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