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

InChI

InChI=1S/C15H12F2O2/c1-9-6-10(2)8-11(7-9)19-15(18)14-12(16)4-3-5-13(14)17/h3-8H,1-2H3

InChI Key

ODMQMIUUJGEWTQ-UHFFFAOYSA-N

Formula

C15H12F2O2

SMILES

Cc1cc(C)cc(OC(=O)c2c(F)cccc2F)c1

Molecular Weight¹

262.25

• 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°	-361.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-562.77	kJ/mol	Joback Calculated Property
ΔfusH°	30.08	kJ/mol	Joback Calculated Property
ΔvapH°	63.71	kJ/mol	Joback Calculated Property
log10WS	-5.17		Crippen Calculated Property
logPoct/wat	3.801		Crippen Calculated Property
McVol	185.670	ml/mol	McGowan Calculated Property
Pc	2267.57	kPa	Joback Calculated Property
Inp	[1796.00; 1796.00]
Inp	1796.00		NIST
Inp	1796.00		NIST
Tboil	690.71	K	Joback Calculated Property
Tc	911.11	K	Joback Calculated Property
Tfus	435.07	K	Joback Calculated Property
Vc	0.720	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[478.74; 546.89]	J/mol×K	[690.71; 911.11]
Cp,gas	478.74	J/mol×K	690.71	Joback Calculated Property
Cp,gas	492.36	J/mol×K	727.44	Joback Calculated Property
Cp,gas	505.05	J/mol×K	764.18	Joback Calculated Property
Cp,gas	516.83	J/mol×K	800.91	Joback Calculated Property
Cp,gas	527.72	J/mol×K	837.64	Joback Calculated Property
Cp,gas	537.73	J/mol×K	874.38	Joback Calculated Property
Cp,gas	546.89	J/mol×K	911.11	Joback Calculated Property

Similar Compounds

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

Sources

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

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