Chemical Properties of Sebacic acid, neopentyl pentadecyl ester

InChI

InChI=1S/C30H58O4/c1-5-6-7-8-9-10-11-12-13-14-17-20-23-26-33-28(31)24-21-18-15-16-19-22-25-29(32)34-27-30(2,3)4/h5-27H2,1-4H3

InChI Key

DSHGVMUDDCQOAI-UHFFFAOYSA-N

Formula

C30H58O4

SMILES

CCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCC(C)(C)C

Molecular Weight¹

482.78

• 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	[673.11; 1584.74]	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			1.96300e+00
Coefficient B			2.87008e+00
Coefficient C			-1.59080e-03
Coefficient D			3.03500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	673.11	J/mol×K	273.00	Calculated Property
Cp,gas	831.67	J/mol×K	353.78	Calculated Property
Cp,gas	973.67	J/mol×K	434.56	Calculated Property
Cp,gas	1100.08	J/mol×K	515.33	Calculated Property
Cp,gas	1211.85	J/mol×K	596.11	Calculated Property
Cp,gas	1309.94	J/mol×K	676.89	Calculated Property
Cp,gas	1395.32	J/mol×K	757.67	Calculated Property
Cp,gas	1468.94	J/mol×K	838.44	Calculated Property
Cp,gas	1531.76	J/mol×K	919.22	Calculated Property
Cp,gas	1584.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003252; 0.0000121]	Pa×s	[514.94; 869.55]	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			-1.61004e+01
Coefficient B			4.15522e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			514.94
Temperature range, max.			869.55
η	0.0003252	Pa×s	514.94	Calculated Property
η	0.0001833	Pa×s	554.34	Calculated Property
η	0.0001114	Pa×s	593.74	Calculated Property
η	0.0000721	Pa×s	633.14	Calculated Property
η	0.0000491	Pa×s	672.55	Calculated Property
η	0.0000349	Pa×s	711.95	Calculated Property
η	0.0000257	Pa×s	751.35	Calculated Property
η	0.0000195	Pa×s	790.75	Calculated Property
η	0.0000152	Pa×s	830.15	Calculated Property
η	0.0000121	Pa×s	869.55	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, neopentyl pentadecyl ester.

Sources

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

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