Chemical Properties of Sebacic acid, isohexyl 2-(2-methoxyethyl)heptyl ester

InChI

InChI=1S/C26H50O5/c1-5-6-11-16-24(19-21-29-4)22-31-26(28)18-13-10-8-7-9-12-17-25(27)30-20-14-15-23(2)3/h23-24H,5-22H2,1-4H3

InChI Key

SBTVYJPQFAIHKZ-UHFFFAOYSA-N

Formula

C26H50O5

SMILES

CCCCCC(CCOC)COC(=O)CCCCCCCCC(=O)OCCCC(C)C

Molecular Weight¹

442.68

• 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	[604.49; 1396.49]	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			5.22080e+01
Coefficient B			2.31288e+00
Coefficient C			-1.09680e-03
Coefficient D			1.28200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	604.49	J/mol×K	273.00	Calculated Property
Cp,gas	738.86	J/mol×K	353.78	Calculated Property
Cp,gas	860.68	J/mol×K	434.56	Calculated Property
Cp,gas	970.38	J/mol×K	515.33	Calculated Property
Cp,gas	1068.35	J/mol×K	596.11	Calculated Property
Cp,gas	1155.00	J/mol×K	676.89	Calculated Property
Cp,gas	1230.73	J/mol×K	757.67	Calculated Property
Cp,gas	1295.95	J/mol×K	838.44	Calculated Property
Cp,gas	1351.07	J/mol×K	919.22	Calculated Property
Cp,gas	1396.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006211; 0.0000193]	Pa×s	[459.67; 802.64]	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			-1.55112e+01
Coefficient B			3.73577e+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.			459.67
Temperature range, max.			802.64
η	0.0006211	Pa×s	459.67	Calculated Property
η	0.0003334	Pa×s	497.78	Calculated Property
η	0.0001955	Pa×s	535.89	Calculated Property
η	0.0001231	Pa×s	573.99	Calculated Property
η	0.0000821	Pa×s	612.10	Calculated Property
η	0.0000574	Pa×s	650.21	Calculated Property
η	0.0000418	Pa×s	688.32	Calculated Property
η	0.0000314	Pa×s	726.42	Calculated Property
η	0.0000243	Pa×s	764.53	Calculated Property
η	0.0000193	Pa×s	802.64	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, isohexyl 2-(2-methoxyethyl)heptyl ester.

Sources

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

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