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

InChI

InChI=1S/C20H30F2O2/c1-4-6-7-8-9-10-11-12-16(5-2)24-20(23)18-17(21)14-13-15(3)19(18)22/h13-14,16H,4-12H2,1-3H3

InChI Key

CNSYMOGEJAVVTN-UHFFFAOYSA-N

Formula

C20H30F2O2

SMILES

CCCCCCCCCC(CC)OC(=O)c1c(F)ccc(C)c1F

Molecular Weight¹

340.45

• 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°	-424.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-896.31	kJ/mol	Joback Calculated Property
ΔfusH°	45.85	kJ/mol	Joback Calculated Property
ΔvapH°	71.51	kJ/mol	Joback Calculated Property
log10WS	-7.57		Crippen Calculated Property
logPoct/wat	6.349		Crippen Calculated Property
McVol	279.880	ml/mol	McGowan Calculated Property
Pc	1198.96	kPa	Joback Calculated Property
Inp	[2200.00; 2200.00]
Inp	2200.00		NIST
Inp	2200.00		NIST
Tboil	773.01	K	Joback Calculated Property
Tc	958.86	K	Joback Calculated Property
Tfus	437.48	K	Joback Calculated Property
Vc	1.101	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[841.20; 930.28]	J/mol×K	[773.01; 958.86]
Cp,gas	841.20	J/mol×K	773.01	Joback Calculated Property
Cp,gas	858.37	J/mol×K	803.98	Joback Calculated Property
Cp,gas	874.59	J/mol×K	834.96	Joback Calculated Property
Cp,gas	889.86	J/mol×K	865.93	Joback Calculated Property
Cp,gas	904.22	J/mol×K	896.91	Joback Calculated Property
Cp,gas	917.69	J/mol×K	927.88	Joback Calculated Property
Cp,gas	930.28	J/mol×K	958.86	Joback Calculated Property

Similar Compounds

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

Sources

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

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