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

InChI

InChI=1S/C19H34O4/c1-13(2)14(3)22-17(20)11-12-18(21)23-16-9-7-15(8-10-16)19(4,5)6/h13-16H,7-12H2,1-6H3

InChI Key

YRCWXOLGCPYLKU-UHFFFAOYSA-N

Formula

C19H34O4

SMILES

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

Molecular Weight¹

326.48

• 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°	32.15	kJ/mol	Joback Calculated Property
logPoct/wat	4.502		Crippen Calculated Property
McVol	282.590	ml/mol	McGowan Calculated Property
Inp	[2193.00; 2193.00]
Inp	2193.00		NIST
Inp	2193.00		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	[403.28; 1010.05]	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			-5.10680e+01
Coefficient B			1.93252e+00
Coefficient C			-1.02440e-03
Coefficient D			1.53000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	403.28	J/mol×K	273.00	Calculated Property
Cp,gas	511.18	J/mol×K	353.78	Calculated Property
Cp,gas	607.83	J/mol×K	434.56	Calculated Property
Cp,gas	693.71	J/mol×K	515.33	Calculated Property
Cp,gas	769.32	J/mol×K	596.11	Calculated Property
Cp,gas	835.13	J/mol×K	676.89	Calculated Property
Cp,gas	891.62	J/mol×K	757.67	Calculated Property
Cp,gas	939.28	J/mol×K	838.44	Calculated Property
Cp,gas	978.60	J/mol×K	919.22	Calculated Property
Cp,gas	1010.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035868; 0.0000743]	Pa×s	[364.11; 673.74]	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			-1.40666e+01
Coefficient B			3.07168e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			364.11
Temperature range, max.			673.74
η	0.0035868	Pa×s	364.11	Calculated Property
η	0.0017314	Pa×s	398.51	Calculated Property
η	0.0009384	Pa×s	432.92	Calculated Property
η	0.0005566	Pa×s	467.32	Calculated Property
η	0.0003546	Pa×s	501.73	Calculated Property
η	0.0002394	Pa×s	536.13	Calculated Property
η	0.0001695	Pa×s	570.53	Calculated Property
η	0.0001248	Pa×s	604.94	Calculated Property
η	0.0000949	Pa×s	639.34	Calculated Property
η	0.0000743	Pa×s	673.74	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-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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