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

InChI

InChI=1S/C14H17ClF2O2/c1-10-6-7-11(16)12(13(10)17)14(18)19-9-5-3-2-4-8-15/h6-7H,2-5,8-9H2,1H3

InChI Key

LIBCWLJDORTDFR-UHFFFAOYSA-N

Formula

C14H17ClF2O2

SMILES

Cc1ccc(F)c(C(=O)OCCCCCCCl)c1F

Molecular Weight¹

290.73

• 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°	-484.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-782.93	kJ/mol	Joback Calculated Property
ΔfusH°	38.03	kJ/mol	Joback Calculated Property
ΔvapH°	62.93	kJ/mol	Joback Calculated Property
log10WS	-5.10		Crippen Calculated Property
logPoct/wat	4.229		Crippen Calculated Property
McVol	207.580	ml/mol	McGowan Calculated Property
Pc	1800.03	kPa	Joback Calculated Property
Inp	[2002.00; 2002.00]
Inp	2002.00		NIST
Inp	2002.00		NIST
Tboil	673.60	K	Joback Calculated Property
Tc	864.47	K	Joback Calculated Property
Tfus	414.78	K	Joback Calculated Property
Vc	0.821	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[537.37; 608.26]	J/mol×K	[673.60; 864.47]
Cp,gas	537.37	J/mol×K	673.60	Joback Calculated Property
Cp,gas	550.96	J/mol×K	705.41	Joback Calculated Property
Cp,gas	563.83	J/mol×K	737.22	Joback Calculated Property
Cp,gas	575.98	J/mol×K	769.03	Joback Calculated Property
Cp,gas	587.42	J/mol×K	800.84	Joback Calculated Property
Cp,gas	598.18	J/mol×K	832.66	Joback Calculated Property
Cp,gas	608.26	J/mol×K	864.47	Joback Calculated Property

Similar Compounds

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

Sources

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

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