Chemical Properties of Sebacic acid, di(2,3-dimethylphenyl) ester

InChI

InChI=1S/C26H34O4/c1-19-13-11-15-23(21(19)3)29-25(27)17-9-7-5-6-8-10-18-26(28)30-24-16-12-14-20(2)22(24)4/h11-16H,5-10,17-18H2,1-4H3

InChI Key

NSUYDWSSPHPGSL-UHFFFAOYSA-N

Formula

C26H34O4

SMILES

Cc1cccc(OC(=O)CCCCCCCCC(=O)Oc2cccc(C)c2C)c1C

Molecular Weight¹

410.55

• 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).
• IE : Ionization energy (eV).
• 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°	58.36	kJ/mol	Joback Calculated Property
IE	7.81	eV	Relay (1.0) Calculated Property
logPoct/wat	6.552		Crippen Calculated Property
McVol	344.560	ml/mol	McGowan Calculated Property
Inp	[3335.00; 3335.00]
Inp	3335.00		NIST
Inp	3335.00		NIST
Tboil	689.61	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, Log10 of Water solubility in mol/l 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	[485.40; 1127.70]	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			1.94580e+01
Coefficient B			1.96848e+00
Coefficient C			-9.95640e-04
Coefficient D			1.35400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	485.40	J/mol×K	273.00	Calculated Property
Cp,gas	597.24	J/mol×K	353.78	Calculated Property
Cp,gas	697.97	J/mol×K	434.56	Calculated Property
Cp,gas	788.00	J/mol×K	515.33	Calculated Property
Cp,gas	867.77	J/mol×K	596.11	Calculated Property
Cp,gas	937.71	J/mol×K	676.89	Calculated Property
Cp,gas	998.25	J/mol×K	757.67	Calculated Property
Cp,gas	1049.80	J/mol×K	838.44	Calculated Property
Cp,gas	1092.81	J/mol×K	919.22	Calculated Property
Cp,gas	1127.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002332; 0.0000335]	Pa×s	[570.36; 845.43]	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			-1.43245e+01
Coefficient B			3.39984e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			570.36
Temperature range, max.			845.43
η	0.0002332	Pa×s	570.36	Calculated Property
η	0.0001722	Pa×s	600.92	Calculated Property
η	0.0001310	Pa×s	631.49	Calculated Property
η	0.0001021	Pa×s	662.05	Calculated Property
η	0.0000814	Pa×s	692.61	Calculated Property
η	0.0000662	Pa×s	723.18	Calculated Property
η	0.0000547	Pa×s	753.74	Calculated Property
η	0.0000459	Pa×s	784.31	Calculated Property
η	0.0000390	Pa×s	814.87	Calculated Property
η	0.0000335	Pa×s	845.43	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(2,3-dimethylphenyl) 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

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