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

InChI

InChI=1S/C26H42F2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-26(29)24-23(27)20-19-22(2)25(24)28/h19-20H,3-18,21H2,1-2H3

InChI Key

GUWSMFDAWJODSP-UHFFFAOYSA-N

Formula

C26H42F2O2

SMILES

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

Molecular Weight¹

424.61

• 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°	-371.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-1014.87	kJ/mol	Joback Calculated Property
ΔfusH°	64.92	kJ/mol	Joback Calculated Property
ΔvapH°	85.25	kJ/mol	Joback Calculated Property
log10WS	-9.97		Crippen Calculated Property
logPoct/wat	8.692		Crippen Calculated Property
McVol	364.420	ml/mol	McGowan Calculated Property
Pc	829.55	kPa	Joback Calculated Property
Inp	[2921.00; 2921.00]
Inp	2921.00		NIST
Inp	2921.00		NIST
Tboil	910.73	K	Joback Calculated Property
Tc	1115.41	K	Joback Calculated Property
Tfus	520.10	K	Joback Calculated Property
Vc	1.444	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1206.53; 1304.48]	J/mol×K	[910.73; 1115.41]
Cp,gas	1206.53	J/mol×K	910.73	Joback Calculated Property
Cp,gas	1226.00	J/mol×K	944.84	Joback Calculated Property
Cp,gas	1244.15	J/mol×K	978.96	Joback Calculated Property
Cp,gas	1261.03	J/mol×K	1013.07	Joback Calculated Property
Cp,gas	1276.67	J/mol×K	1047.18	Joback Calculated Property
Cp,gas	1291.14	J/mol×K	1081.30	Joback Calculated Property
Cp,gas	1304.48	J/mol×K	1115.41	Joback Calculated Property

Similar Compounds

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

Sources

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

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