Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, 4-chlorophenyl ester

InChI

InChI=1S/C14H9ClF2O2/c1-8-2-7-11(16)12(13(8)17)14(18)19-10-5-3-9(15)4-6-10/h2-7H,1H3

InChI Key

MZKJPBVMPYPFGX-UHFFFAOYSA-N

Formula

C14H9ClF2O2

SMILES

Cc1ccc(F)c(C(=O)Oc2ccc(Cl)cc2)c1F

Molecular Weight¹

282.67

• 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°	-382.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-557.87	kJ/mol	Joback Calculated Property
ΔfusH°	31.69	kJ/mol	Joback Calculated Property
ΔvapH°	65.86	kJ/mol	Joback Calculated Property
log10WS	-5.38		Crippen Calculated Property
logPoct/wat	4.146		Crippen Calculated Property
McVol	183.820	ml/mol	McGowan Calculated Property
Pc	2400.57	kPa	Joback Calculated Property
Inp	[1968.00; 1968.00]
Inp	1968.00		NIST
Inp	1968.00		NIST
Tboil	705.26	K	Joback Calculated Property
Tc	932.46	K	Joback Calculated Property
Tfus	453.72	K	Joback Calculated Property
Vc	0.713	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[451.72; 510.58]	J/mol×K	[705.26; 932.46]
Cp,gas	451.72	J/mol×K	705.26	Joback Calculated Property
Cp,gas	463.72	J/mol×K	743.13	Joback Calculated Property
Cp,gas	474.81	J/mol×K	780.99	Joback Calculated Property
Cp,gas	485.03	J/mol×K	818.86	Joback Calculated Property
Cp,gas	494.38	J/mol×K	856.73	Joback Calculated Property
Cp,gas	502.89	J/mol×K	894.60	Joback Calculated Property
Cp,gas	510.58	J/mol×K	932.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 4-chlorophenyl ester.

Sources

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

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