Chemical Properties of Succinic acid, di(3,3-dimethylbut-2-yl) ester

InChI

InChI=1S/C16H30O4/c1-11(15(3,4)5)19-13(17)9-10-14(18)20-12(2)16(6,7)8/h11-12H,9-10H2,1-8H3

InChI Key

CJZNDSDOPFMEAW-UHFFFAOYSA-N

Formula

C16H30O4

SMILES

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

Molecular Weight¹

286.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[374.03; 865.01]	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			-1.31480e+01
Coefficient B			1.67776e+00
Coefficient C			-1.00740e-03
Coefficient D			2.07800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	374.03	J/mol×K	273.00	Calculated Property
Cp,gas	463.52	J/mol×K	353.78	Calculated Property
Cp,gas	542.75	J/mol×K	434.56	Calculated Property
Cp,gas	612.36	J/mol×K	515.33	Calculated Property
Cp,gas	673.02	J/mol×K	596.11	Calculated Property
Cp,gas	725.39	J/mol×K	676.89	Calculated Property
Cp,gas	770.11	J/mol×K	757.67	Calculated Property
Cp,gas	807.85	J/mol×K	838.44	Calculated Property
Cp,gas	839.27	J/mol×K	919.22	Calculated Property
Cp,gas	865.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0062739; 0.0000806]	Pa×s	[329.58; 604.88]	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			-1.46386e+01
Coefficient B			3.15316e+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.			329.58
Temperature range, max.			604.88
η	0.0062739	Pa×s	329.58	Calculated Property
η	0.0027839	Pa×s	360.17	Calculated Property
η	0.0014029	Pa×s	390.76	Calculated Property
η	0.0007809	Pa×s	421.35	Calculated Property
η	0.0004706	Pa×s	451.93	Calculated Property
η	0.0003024	Pa×s	482.52	Calculated Property
η	0.0002048	Pa×s	513.11	Calculated Property
η	0.0001450	Pa×s	543.70	Calculated Property
η	0.0001064	Pa×s	574.29	Calculated Property
η	0.0000806	Pa×s	604.88	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(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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