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

InChI

InChI=1S/C27H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-30-25(28)21-22-26(29)31-24(2)27(3,4)5/h24H,6-23H2,1-5H3

InChI Key

XXOOEOZXUINFAE-UHFFFAOYSA-N

Formula

C27H52O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)CCC(=O)OC(C)C(C)(C)C

Molecular Weight¹

440.70

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[609.15; 1430.51]	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			3.00800e+00
Coefficient B			2.59100e+00
Coefficient C			-1.43080e-03
Coefficient D			2.67300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	609.15	J/mol×K	273.00	Calculated Property
Cp,gas	752.40	J/mol×K	353.78	Calculated Property
Cp,gas	880.69	J/mol×K	434.56	Calculated Property
Cp,gas	994.84	J/mol×K	515.33	Calculated Property
Cp,gas	1095.72	J/mol×K	596.11	Calculated Property
Cp,gas	1184.16	J/mol×K	676.89	Calculated Property
Cp,gas	1261.02	J/mol×K	757.67	Calculated Property
Cp,gas	1327.13	J/mol×K	838.44	Calculated Property
Cp,gas	1383.35	J/mol×K	919.22	Calculated Property
Cp,gas	1430.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006496; 0.0000197]	Pa×s	[466.13; 799.33]	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			-1.57286e+01
Coefficient B			3.91056e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			466.13
Temperature range, max.			799.33
η	0.0006496	Pa×s	466.13	Calculated Property
η	0.0003504	Pa×s	503.15	Calculated Property
η	0.0002057	Pa×s	540.17	Calculated Property
η	0.0001293	Pa×s	577.20	Calculated Property
η	0.0000859	Pa×s	614.22	Calculated Property
η	0.0000598	Pa×s	651.24	Calculated Property
η	0.0000433	Pa×s	688.26	Calculated Property
η	0.0000324	Pa×s	725.28	Calculated Property
η	0.0000249	Pa×s	762.30	Calculated Property
η	0.0000197	Pa×s	799.33	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3,3-dimethylbut-2-yl heptadecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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