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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1121.49; 1183.12]	J/mol×K	[984.20; 1207.76]
Cp,gas	1121.49	J/mol×K	984.20	Joback Calculated Property
Cp,gas	1135.66	J/mol×K	1021.46	Joback Calculated Property
Cp,gas	1148.21	J/mol×K	1058.72	Joback Calculated Property
Cp,gas	1159.19	J/mol×K	1095.98	Joback Calculated Property
Cp,gas	1168.64	J/mol×K	1133.24	Joback Calculated Property
Cp,gas	1176.60	J/mol×K	1170.50	Joback Calculated Property
Cp,gas	1183.12	J/mol×K	1207.76	Joback Calculated Property
η	[0.0000190; 0.0002332]	Pa×s	[570.36; 984.20]
η	0.0002332	Pa×s	570.36	Joback Calculated Property
η	0.0001226	Pa×s	639.33	Joback Calculated Property
η	0.0000730	Pa×s	708.31	Joback Calculated Property
η	0.0000477	Pa×s	777.28	Joback Calculated Property
η	0.0000334	Pa×s	846.25	Joback Calculated Property
η	0.0000247	Pa×s	915.23	Joback Calculated Property
η	0.0000190	Pa×s	984.20	Joback 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

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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