Chemical Properties of Sebacic acid, ethyl neopentyl ester

InChI

InChI=1S/C17H32O4/c1-5-20-15(18)12-10-8-6-7-9-11-13-16(19)21-14-17(2,3)4/h5-14H2,1-4H3

InChI Key

QNAQLOXJOBIYIF-UHFFFAOYSA-N

Formula

C17H32O4

SMILES

CCOC(=O)CCCCCCCCC(=O)OCC(C)(C)C

Molecular Weight¹

300.43

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• IE : Ionization energy (eV).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[397.33; 914.06]	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			1.37800e+01
Coefficient B			1.63508e+00
Coefficient C			-8.83600e-04
Coefficient D			1.48800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	397.33	J/mol×K	273.00	Calculated Property
Cp,gas	488.23	J/mol×K	353.78	Calculated Property
Cp,gas	569.67	J/mol×K	434.56	Calculated Property
Cp,gas	642.10	J/mol×K	515.33	Calculated Property
Cp,gas	706.00	J/mol×K	596.11	Calculated Property
Cp,gas	761.85	J/mol×K	676.89	Calculated Property
Cp,gas	810.11	J/mol×K	757.67	Calculated Property
Cp,gas	851.25	J/mol×K	838.44	Calculated Property
Cp,gas	885.74	J/mol×K	919.22	Calculated Property
Cp,gas	914.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024007; 0.0000989]	Pa×s	[368.43; 614.97]	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			-1.39878e+01
Coefficient B			2.93114e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			368.43
Temperature range, max.			614.97
η	0.0024007	Pa×s	368.43	Calculated Property
η	0.0013843	Pa×s	395.82	Calculated Property
η	0.0008571	Pa×s	423.22	Calculated Property
η	0.0005626	Pa×s	450.61	Calculated Property
η	0.0003875	Pa×s	478.01	Calculated Property
η	0.0002779	Pa×s	505.40	Calculated Property
η	0.0002063	Pa×s	532.79	Calculated Property
η	0.0001576	Pa×s	560.19	Calculated Property
η	0.0001235	Pa×s	587.58	Calculated Property
η	0.0000989	Pa×s	614.97	Calculated Property

Similar Compounds

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

Sources

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

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