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

InChI

InChI=1S/C15H20F2O2/c1-3-4-5-6-7-10-19-15(18)13-12(16)9-8-11(2)14(13)17/h8-9H,3-7,10H2,1-2H3

InChI Key

MEJDHUSQBCNUTP-UHFFFAOYSA-N

Formula

C15H20F2O2

SMILES

CCCCCCCOC(=O)c1c(F)ccc(C)c1F

Molecular Weight¹

270.31

• 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°	-464.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-787.83	kJ/mol	Joback Calculated Property
ΔfusH°	36.43	kJ/mol	Joback Calculated Property
ΔvapH°	60.77	kJ/mol	Joback Calculated Property
log10WS	-5.36		Crippen Calculated Property
logPoct/wat	4.400		Crippen Calculated Property
McVol	209.430	ml/mol	McGowan Calculated Property
Pc	1713.19	kPa	Joback Calculated Property
Inp	[1796.00; 1796.00]
Inp	1796.00		NIST
Inp	1796.00		NIST
Tboil	659.05	K	Joback Calculated Property
Tc	844.29	K	Joback Calculated Property
Tfus	396.13	K	Joback Calculated Property
Vc	0.828	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[561.31; 640.14]	J/mol×K	[659.05; 844.29]
Cp,gas	561.31	J/mol×K	659.05	Joback Calculated Property
Cp,gas	576.27	J/mol×K	689.92	Joback Calculated Property
Cp,gas	590.48	J/mol×K	720.80	Joback Calculated Property
Cp,gas	603.97	J/mol×K	751.67	Joback Calculated Property
Cp,gas	616.73	J/mol×K	782.55	Joback Calculated Property
Cp,gas	628.78	J/mol×K	813.42	Joback Calculated Property
Cp,gas	640.14	J/mol×K	844.29	Joback Calculated Property

Similar Compounds

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

Sources

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

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