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

InChI

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

InChI Key

GDUDFOFZZXIORV-UHFFFAOYSA-N

Formula

C23H36F2O2

SMILES

CCCCCCCCCCCCCCCOC(=O)c1c(F)ccc(C)c1F

Molecular Weight¹

382.53

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-397.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-952.95	kJ/mol	Joback Calculated Property
ΔfusH°	57.15	kJ/mol	Joback Calculated Property
ΔvapH°	78.58	kJ/mol	Joback Calculated Property
log10WS	-8.71		Crippen Calculated Property
logPoct/wat	7.521		Crippen Calculated Property
McVol	322.150	ml/mol	McGowan Calculated Property
Pc	986.40	kPa	Joback Calculated Property
Inp	[2634.00; 2634.00]
Inp	2634.00		NIST
Inp	2634.00		NIST
Tboil	842.09	K	Joback Calculated Property
Tc	1032.89	K	Joback Calculated Property
Tfus	486.29	K	Joback Calculated Property
Vc	1.276	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1020.31; 1113.39]	J/mol×K	[842.09; 1032.89]
Cp,gas	1020.31	J/mol×K	842.09	Joback Calculated Property
Cp,gas	1038.45	J/mol×K	873.89	Joback Calculated Property
Cp,gas	1055.49	J/mol×K	905.69	Joback Calculated Property
Cp,gas	1071.48	J/mol×K	937.49	Joback Calculated Property
Cp,gas	1086.44	J/mol×K	969.29	Joback Calculated Property
Cp,gas	1100.40	J/mol×K	1001.09	Joback Calculated Property
Cp,gas	1113.39	J/mol×K	1032.89	Joback Calculated Property

Similar Compounds

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

Sources

• 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.