Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, 3,5-dimethylphenyl ester

InChI

InChI=1S/C16H14F2O2/c1-9-6-10(2)8-12(7-9)20-16(19)14-13(17)5-4-11(3)15(14)18/h4-8H,1-3H3

InChI Key

LENIKJKGZAVHPV-UHFFFAOYSA-N

Formula

C16H14F2O2

SMILES

Cc1cc(C)cc(OC(=O)c2c(F)ccc(C)c2F)c1

Molecular Weight¹

276.28

• 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°	-363.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-594.88	kJ/mol	Joback Calculated Property
ΔfusH°	32.28	kJ/mol	Joback Calculated Property
ΔvapH°	66.59	kJ/mol	Joback Calculated Property
log10WS	-5.65		Crippen Calculated Property
logPoct/wat	4.109		Crippen Calculated Property
McVol	199.760	ml/mol	McGowan Calculated Property
Pc	2045.61	kPa	Joback Calculated Property
Inp	[1995.00; 1995.00]
Inp	1995.00		NIST
Inp	1995.00		NIST
Tboil	718.57	K	Joback Calculated Property
Tc	936.27	K	Joback Calculated Property
Tfus	458.86	K	Joback Calculated Property
Vc	0.775	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[529.77; 599.74]	J/mol×K	[718.57; 936.27]
Cp,gas	529.77	J/mol×K	718.57	Joback Calculated Property
Cp,gas	543.73	J/mol×K	754.85	Joback Calculated Property
Cp,gas	556.75	J/mol×K	791.14	Joback Calculated Property
Cp,gas	568.84	J/mol×K	827.42	Joback Calculated Property
Cp,gas	580.03	J/mol×K	863.71	Joback Calculated Property
Cp,gas	590.32	J/mol×K	899.99	Joback Calculated Property
Cp,gas	599.74	J/mol×K	936.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 3,5-dimethylphenyl ester.

Sources

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

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