Chemical Properties of Succinic acid, 3-methylbut-2-yl 3,3-dimethylbut-2-yl ester

InChI

InChI=1S/C15H28O4/c1-10(2)11(3)18-13(16)8-9-14(17)19-12(4)15(5,6)7/h10-12H,8-9H2,1-7H3

InChI Key

YPXNSXAFIXVBIY-UHFFFAOYSA-N

Formula

C15H28O4

SMILES

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

Molecular Weight¹

272.38

• 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°	25.36	kJ/mol	Joback Calculated Property
logPoct/wat	3.332		Crippen Calculated Property
McVol	237.090	ml/mol	McGowan Calculated Property
Inp	[1606.00; 1606.00]
Inp	1606.00		NIST
Inp	1606.00		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	[353.96; 812.49]	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			1.05520e+01
Coefficient B			1.46284e+00
Coefficient C			-7.84400e-04
Coefficient D			1.23500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	353.96	J/mol×K	273.00	Calculated Property
Cp,gas	435.37	J/mol×K	353.78	Calculated Property
Cp,gas	508.25	J/mol×K	434.56	Calculated Property
Cp,gas	572.99	J/mol×K	515.33	Calculated Property
Cp,gas	629.99	J/mol×K	596.11	Calculated Property
Cp,gas	679.64	J/mol×K	676.89	Calculated Property
Cp,gas	722.32	J/mol×K	757.67	Calculated Property
Cp,gas	758.43	J/mol×K	838.44	Calculated Property
Cp,gas	788.36	J/mol×K	919.22	Calculated Property
Cp,gas	812.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0100819; 0.0000977]	Pa×s	[300.89; 588.14]	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			-1.40898e+01
Coefficient B			2.85628e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			300.89
Temperature range, max.			588.14
η	0.0100819	Pa×s	300.89	Calculated Property
η	0.0040567	Pa×s	332.81	Calculated Property
η	0.0019143	Pa×s	364.72	Calculated Property
η	0.0010194	Pa×s	396.64	Calculated Property
η	0.0005962	Pa×s	428.56	Calculated Property
η	0.0003757	Pa×s	460.47	Calculated Property
η	0.0002513	Pa×s	492.39	Calculated Property
η	0.0001765	Pa×s	524.31	Calculated Property
η	0.0001291	Pa×s	556.22	Calculated Property
η	0.0000977	Pa×s	588.14	Calculated Property

Similar Compounds

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

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