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

InChI

InChI=1S/C24H38F2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-24(27)22-21(25)18-17-20(2)23(22)26/h17-18H,3-16,19H2,1-2H3

InChI Key

JDAQLVSRLALOEM-UHFFFAOYSA-N

Formula

C24H38F2O2

SMILES

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

Molecular Weight¹

396.55

• 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°	-388.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-973.59	kJ/mol	Joback Calculated Property
ΔfusH°	59.74	kJ/mol	Joback Calculated Property
ΔvapH°	80.80	kJ/mol	Joback Calculated Property
log10WS	-9.13		Crippen Calculated Property
logPoct/wat	7.911		Crippen Calculated Property
McVol	336.240	ml/mol	McGowan Calculated Property
Pc	929.51	kPa	Joback Calculated Property
Inp	[2728.00; 2728.00]
Inp	2728.00		NIST
Inp	2728.00		NIST
Tboil	864.97	K	Joback Calculated Property
Tc	1059.50	K	Joback Calculated Property
Tfus	497.56	K	Joback Calculated Property
Vc	1.331	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1081.73; 1176.37]	J/mol×K	[864.97; 1059.50]
Cp,gas	1081.73	J/mol×K	864.97	Joback Calculated Property
Cp,gas	1100.28	J/mol×K	897.39	Joback Calculated Property
Cp,gas	1117.67	J/mol×K	929.81	Joback Calculated Property
Cp,gas	1133.94	J/mol×K	962.23	Joback Calculated Property
Cp,gas	1149.12	J/mol×K	994.65	Joback Calculated Property
Cp,gas	1163.25	J/mol×K	1027.07	Joback Calculated Property
Cp,gas	1176.37	J/mol×K	1059.50	Joback Calculated Property

Similar Compounds

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

Sources

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

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