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

InChI

InChI=1S/C15H18F2O2/c1-10-7-8-12(16)13(14(10)17)15(18)19-9-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3

InChI Key

XQVMNPOCUMAMCH-UHFFFAOYSA-N

Formula

C15H18F2O2

SMILES

Cc1ccc(F)c(C(=O)OCC2CCCCC2)c1F

Molecular Weight¹

268.30

• 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°	-440.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-733.51	kJ/mol	Joback Calculated Property
ΔfusH°	28.26	kJ/mol	Joback Calculated Property
ΔvapH°	61.20	kJ/mol	Joback Calculated Property
log10WS	-5.02		Crippen Calculated Property
logPoct/wat	4.010		Crippen Calculated Property
McVol	198.570	ml/mol	McGowan Calculated Property
Pc	2045.61	kPa	Joback Calculated Property
Inp	[1876.00; 1876.00]
Inp	1876.00		NIST
Inp	1876.00		NIST
Tboil	678.60	K	Joback Calculated Property
Tc	891.98	K	Joback Calculated Property
Tfus	403.51	K	Joback Calculated Property
Vc	0.760	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[553.81; 641.99]	J/mol×K	[678.60; 891.98]
Cp,gas	553.81	J/mol×K	678.60	Joback Calculated Property
Cp,gas	571.26	J/mol×K	714.16	Joback Calculated Property
Cp,gas	587.58	J/mol×K	749.73	Joback Calculated Property
Cp,gas	602.79	J/mol×K	785.29	Joback Calculated Property
Cp,gas	616.92	J/mol×K	820.85	Joback Calculated Property
Cp,gas	629.98	J/mol×K	856.42	Joback Calculated Property
Cp,gas	641.99	J/mol×K	891.98	Joback Calculated Property

Similar Compounds

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

Sources

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

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