Chemical Properties of 3,4-Difluorobenzoic acid, 2-pentadecyl ester

InChI

InChI=1S/C22H34F2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(2)26-22(25)19-15-16-20(23)21(24)17-19/h15-18H,3-14H2,1-2H3

InChI Key

LWQZRBYARJJYNH-UHFFFAOYSA-N

Formula

C22H34F2O2

SMILES

CCCCCCCCCCCCCC(C)OC(=O)c1ccc(F)c(F)c1

Molecular Weight¹

368.50

• 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°	-398.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-926.12	kJ/mol	Joback Calculated Property
ΔfusH°	51.42	kJ/mol	Joback Calculated Property
ΔvapH°	75.30	kJ/mol	Joback Calculated Property
log10WS	-8.35		Crippen Calculated Property
logPoct/wat	7.211		Crippen Calculated Property
McVol	308.060	ml/mol	McGowan Calculated Property
Pc	1064.48	kPa	Joback Calculated Property
Inp	[2372.00; 2372.00]
Inp	2372.00		NIST
Inp	2372.00		NIST
Tboil	813.79	K	Joback Calculated Property
Tc	1001.75	K	Joback Calculated Property
Tfus	447.50	K	Joback Calculated Property
Vc	1.214	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[960.31; 1052.62]	J/mol×K	[813.79; 1001.75]
Cp,gas	960.31	J/mol×K	813.79	Joback Calculated Property
Cp,gas	978.23	J/mol×K	845.12	Joback Calculated Property
Cp,gas	995.09	J/mol×K	876.44	Joback Calculated Property
Cp,gas	1010.93	J/mol×K	907.77	Joback Calculated Property
Cp,gas	1025.77	J/mol×K	939.09	Joback Calculated Property
Cp,gas	1039.66	J/mol×K	970.42	Joback Calculated Property
Cp,gas	1052.62	J/mol×K	1001.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Difluorobenzoic acid, 2-pentadecyl ester.

Sources

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

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