Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, 2-pentadecyl ester

InChI

InChI=1S/C23H36F2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(3)27-23(26)21-20(24)17-16-18(2)22(21)25/h16-17,19H,4-15H2,1-3H3

InChI Key

XDVYTQYOIPHLBZ-UHFFFAOYSA-N

Formula

C23H36F2O2

SMILES

CCCCCCCCCCCCCC(C)OC(=O)c1c(F)ccc(C)c1F

Molecular Weight¹

382.53

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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°	53.62	kJ/mol	Joback Calculated Property
logPoct/wat	7.520		Crippen Calculated Property
McVol	322.150	ml/mol	McGowan Calculated Property
Inp	[2536.00; 2536.00]
Inp	2536.00		NIST
Inp	2536.00		NIST
Tboil	626.75	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, 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	[1020.79; 1113.95]	J/mol×K	[841.65; 1033.14]
Cp,gas	1020.79	J/mol×K	841.65	Joback Calculated Property
Cp,gas	1038.98	J/mol×K	873.56	Joback Calculated Property
Cp,gas	1056.07	J/mol×K	905.48	Joback Calculated Property
Cp,gas	1072.08	J/mol×K	937.39	Joback Calculated Property
Cp,gas	1087.04	J/mol×K	969.31	Joback Calculated Property
Cp,gas	1100.99	J/mol×K	1001.22	Joback Calculated Property
Cp,gas	1113.95	J/mol×K	1033.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 2-pentadecyl 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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