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

InChI

InChI=1S/C20H36O4/c1-7-17(14(2)3)24-19(22)13-12-18(21)23-16-10-8-15(9-11-16)20(4,5)6/h14-17H,7-13H2,1-6H3

InChI Key

LXOLVIFTJKSYDM-UHFFFAOYSA-N

Formula

C20H36O4

SMILES

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

Molecular Weight¹

340.50

• 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°	34.74	kJ/mol	Joback Calculated Property
logPoct/wat	4.893		Crippen Calculated Property
McVol	296.680	ml/mol	McGowan Calculated Property
Inp	[2278.00; 2278.00]
Inp	2278.00		NIST
Inp	2278.00		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	[424.49; 1061.64]	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			-5.19770e+01
Coefficient B			2.02752e+00
Coefficient C			-1.07880e-03
Coefficient D			1.64900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	424.49	J/mol×K	273.00	Calculated Property
Cp,gas	537.59	J/mol×K	353.78	Calculated Property
Cp,gas	638.91	J/mol×K	434.56	Calculated Property
Cp,gas	728.94	J/mol×K	515.33	Calculated Property
Cp,gas	808.23	J/mol×K	596.11	Calculated Property
Cp,gas	877.29	J/mol×K	676.89	Calculated Property
Cp,gas	936.64	J/mol×K	757.67	Calculated Property
Cp,gas	986.80	J/mol×K	838.44	Calculated Property
Cp,gas	1028.29	J/mol×K	919.22	Calculated Property
Cp,gas	1061.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030584; 0.0000658]	Pa×s	[375.38; 689.03]	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			-1.42236e+01
Coefficient B			3.16584e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			375.38
Temperature range, max.			689.03
η	0.0030584	Pa×s	375.38	Calculated Property
η	0.0014939	Pa×s	410.23	Calculated Property
η	0.0008164	Pa×s	445.08	Calculated Property
η	0.0004871	Pa×s	479.93	Calculated Property
η	0.0003116	Pa×s	514.78	Calculated Property
η	0.0002110	Pa×s	549.63	Calculated Property
η	0.0001497	Pa×s	584.48	Calculated Property
η	0.0001103	Pa×s	619.33	Calculated Property
η	0.0000840	Pa×s	654.18	Calculated Property
η	0.0000658	Pa×s	689.03	Calculated Property

Similar Compounds

Find more compounds similar to Succinic 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

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