Chemical Properties of Sebacic acid, 4-methoxy-2-methylbutyl tetradecyl ester

InChI

InChI=1S/C30H58O5/c1-4-5-6-7-8-9-10-11-12-15-18-21-25-34-29(31)22-19-16-13-14-17-20-23-30(32)35-27-28(2)24-26-33-3/h28H,4-27H2,1-3H3

InChI Key

DTEVRIYOBVBQOM-UHFFFAOYSA-N

Formula

C30H58O5

SMILES

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

Molecular Weight¹

498.78

Other Names

• Sebacic acid, 4-methoxy-2-methylphenyl tetradecyl ester

• 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	[689.66; 1602.31]	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			5.02540e+01
Coefficient B			2.68696e+00
Coefficient C			-1.31120e-03
Coefficient D			1.76300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	689.66	J/mol×K	273.00	Calculated Property
Cp,gas	844.54	J/mol×K	353.78	Calculated Property
Cp,gas	984.75	J/mol×K	434.56	Calculated Property
Cp,gas	1110.85	J/mol×K	515.33	Calculated Property
Cp,gas	1223.39	J/mol×K	596.11	Calculated Property
Cp,gas	1322.94	J/mol×K	676.89	Calculated Property
Cp,gas	1410.05	J/mol×K	757.67	Calculated Property
Cp,gas	1485.28	J/mol×K	838.44	Calculated Property
Cp,gas	1549.18	J/mol×K	919.22	Calculated Property
Cp,gas	1602.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002708; 0.0000098]	Pa×s	[519.75; 900.40]	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			-1.60538e+01
Coefficient B			4.07459e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			519.75
Temperature range, max.			900.40
η	0.0002708	Pa×s	519.75	Calculated Property
η	0.0001501	Pa×s	562.04	Calculated Property
η	0.0000904	Pa×s	604.34	Calculated Property
η	0.0000581	Pa×s	646.63	Calculated Property
η	0.0000395	Pa×s	688.93	Calculated Property
η	0.0000280	Pa×s	731.22	Calculated Property
η	0.0000207	Pa×s	773.52	Calculated Property
η	0.0000157	Pa×s	815.81	Calculated Property
η	0.0000123	Pa×s	858.11	Calculated Property
η	0.0000098	Pa×s	900.40	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 4-methoxy-2-methylbutyl tetradecyl ester.

Sources

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

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