Chemical Properties of Sebacic acid, 3-fluorophenyl isohexyl ester

InChI

InChI=1S/C22H33FO4/c1-18(2)11-10-16-26-21(24)14-7-5-3-4-6-8-15-22(25)27-20-13-9-12-19(23)17-20/h9,12-13,17-18H,3-8,10-11,14-16H2,1-2H3

InChI Key

WLIVJONASJKUKP-UHFFFAOYSA-N

Formula

C22H33FO4

SMILES

CC(C)CCCOC(=O)CCCCCCCCC(=O)Oc1cccc(F)c1

Molecular Weight¹

380.50

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1004.95; 1085.01]	J/mol×K	[885.83; 1087.56]
Cp,gas	1004.95	J/mol×K	885.83	Joback Calculated Property
Cp,gas	1021.27	J/mol×K	919.45	Joback Calculated Property
Cp,gas	1036.35	J/mol×K	953.07	Joback Calculated Property
Cp,gas	1050.24	J/mol×K	986.69	Joback Calculated Property
Cp,gas	1062.96	J/mol×K	1020.32	Joback Calculated Property
Cp,gas	1074.54	J/mol×K	1053.94	Joback Calculated Property
Cp,gas	1085.01	J/mol×K	1087.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 3-fluorophenyl 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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