Chemical Properties of Sebacic acid, 3-ethylphenyl isohexyl ester

InChI

InChI=1S/C24H38O4/c1-4-21-14-11-15-22(19-21)28-24(26)17-10-8-6-5-7-9-16-23(25)27-18-12-13-20(2)3/h11,14-15,19-20H,4-10,12-13,16-18H2,1-3H3

InChI Key

CBIJDNUNADVMRE-UHFFFAOYSA-N

Formula

C24H38O4

SMILES

CCc1cccc(OC(=O)CCCCCCCCC(=O)OCCCC(C)C)c1

Molecular Weight¹

390.56

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	56.78	kJ/mol	Joback Calculated Property
log10WS	-6.36		Relay (1.0) Calculated Property
logPoct/wat	6.255		Crippen Calculated Property
McVol	340.140	ml/mol	McGowan Calculated Property
Inp	[2853.00; 2853.00]
Inp	2853.00		NIST
Inp	2853.00		NIST
Tboil	659.65	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[492.27; 1152.70]	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			1.06020e+01
Coefficient B			2.04176e+00
Coefficient C			-1.05996e-03
Coefficient D			1.60300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	492.27	J/mol×K	273.00	Calculated Property
Cp,gas	607.37	J/mol×K	353.78	Calculated Property
Cp,gas	710.85	J/mol×K	434.56	Calculated Property
Cp,gas	803.24	J/mol×K	515.33	Calculated Property
Cp,gas	885.02	J/mol×K	596.11	Calculated Property
Cp,gas	956.71	J/mol×K	676.89	Calculated Property
Cp,gas	1018.82	J/mol×K	757.67	Calculated Property
Cp,gas	1071.85	J/mol×K	838.44	Calculated Property
Cp,gas	1116.31	J/mol×K	919.22	Calculated Property
Cp,gas	1152.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006614; 0.0000399]	Pa×s	[468.84; 769.66]	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			-1.45084e+01
Coefficient B			3.36970e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			468.84
Temperature range, max.			769.66
η	0.0006614	Pa×s	468.84	Calculated Property
η	0.0004100	Pa×s	502.26	Calculated Property
η	0.0002698	Pa×s	535.69	Calculated Property
η	0.0001864	Pa×s	569.11	Calculated Property
η	0.0001342	Pa×s	602.54	Calculated Property
η	0.0001001	Pa×s	635.96	Calculated Property
η	0.0000768	Pa×s	669.38	Calculated Property
η	0.0000604	Pa×s	702.81	Calculated Property
η	0.0000486	Pa×s	736.23	Calculated Property
η	0.0000399	Pa×s	769.66	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 3-ethylphenyl isohexyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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