Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, 4-tetradecyl ester

InChI

InChI=1S/C22H34F2O2/c1-4-6-7-8-9-10-11-12-14-18(13-5-2)26-22(25)20-19(23)16-15-17(3)21(20)24/h15-16,18H,4-14H2,1-3H3

InChI Key

MDBLHXMIEOKIAF-UHFFFAOYSA-N

Formula

C22H34F2O2

SMILES

CCCCCCCCCCC(CCC)OC(=O)c1c(F)ccc(C)c1F

Molecular Weight¹

368.50

• 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°	-408.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-937.59	kJ/mol	Joback Calculated Property
ΔfusH°	51.03	kJ/mol	Joback Calculated Property
ΔvapH°	75.96	kJ/mol	Joback Calculated Property
log10WS	-8.41		Crippen Calculated Property
logPoct/wat	7.130		Crippen Calculated Property
McVol	308.060	ml/mol	McGowan Calculated Property
Pc	1054.14	kPa	Joback Calculated Property
Inp	[2404.00; 2404.00]
Inp	2404.00		NIST
Inp	2404.00		NIST
Tboil	818.77	K	Joback Calculated Property
Tc	1007.66	K	Joback Calculated Property
Tfus	460.02	K	Joback Calculated Property
Vc	1.214	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[960.11; 1051.93]	J/mol×K	[818.77; 1007.66]
Cp,gas	960.11	J/mol×K	818.77	Joback Calculated Property
Cp,gas	977.95	J/mol×K	850.25	Joback Calculated Property
Cp,gas	994.74	J/mol×K	881.73	Joback Calculated Property
Cp,gas	1010.50	J/mol×K	913.22	Joback Calculated Property
Cp,gas	1025.27	J/mol×K	944.70	Joback Calculated Property
Cp,gas	1039.07	J/mol×K	976.18	Joback Calculated Property
Cp,gas	1051.93	J/mol×K	1007.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 4-tetradecyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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