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

InChI

InChI=1S/C17H16F2O2/c1-10(2)12-5-7-13(8-6-12)21-17(20)15-14(18)9-4-11(3)16(15)19/h4-10H,1-3H3

InChI Key

VKUDZDBNLGZXDH-UHFFFAOYSA-N

Formula

C17H16F2O2

SMILES

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

Molecular Weight¹

290.30

• 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°	-347.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-609.33	kJ/mol	Joback Calculated Property
ΔfusH°	31.74	kJ/mol	Joback Calculated Property
ΔvapH°	67.77	kJ/mol	Joback Calculated Property
log10WS	-5.88		Crippen Calculated Property
logPoct/wat	4.616		Crippen Calculated Property
McVol	213.850	ml/mol	McGowan Calculated Property
Pc	1916.94	kPa	Joback Calculated Property
Inp	[2081.00; 2081.00]
Inp	2081.00		NIST
Inp	2081.00		NIST
Tboil	736.03	K	Joback Calculated Property
Tc	953.47	K	Joback Calculated Property
Tfus	442.61	K	Joback Calculated Property
Vc	0.826	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[584.73; 658.10]	J/mol×K	[736.03; 953.47]
Cp,gas	584.73	J/mol×K	736.03	Joback Calculated Property
Cp,gas	599.46	J/mol×K	772.27	Joback Calculated Property
Cp,gas	613.16	J/mol×K	808.51	Joback Calculated Property
Cp,gas	625.85	J/mol×K	844.75	Joback Calculated Property
Cp,gas	637.55	J/mol×K	880.99	Joback Calculated Property
Cp,gas	648.29	J/mol×K	917.23	Joback Calculated Property
Cp,gas	658.10	J/mol×K	953.47	Joback Calculated Property

Similar Compounds

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

Sources

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

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