Chemical Properties of 3,4-Difluorobenzoic acid, 3-tridecyl ester

InChI

InChI=1S/C20H30F2O2/c1-3-5-6-7-8-9-10-11-12-17(4-2)24-20(23)16-13-14-18(21)19(22)15-16/h13-15,17H,3-12H2,1-2H3

InChI Key

XXSFOBIKRPIYIM-UHFFFAOYSA-N

Formula

C20H30F2O2

SMILES

CCCCCCCCCCC(CC)OC(=O)c1ccc(F)c(F)c1

Molecular Weight¹

340.45

• 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°	-415.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-884.84	kJ/mol	Joback Calculated Property
ΔfusH°	46.24	kJ/mol	Joback Calculated Property
ΔvapH°	70.85	kJ/mol	Joback Calculated Property
log10WS	-7.51		Crippen Calculated Property
logPoct/wat	6.431		Crippen Calculated Property
McVol	279.880	ml/mol	McGowan Calculated Property
Pc	1211.51	kPa	Joback Calculated Property
Inp	[2130.00; 2130.00]
Inp	2130.00		NIST
Inp	2130.00		NIST
Tboil	768.03	K	Joback Calculated Property
Tc	953.00	K	Joback Calculated Property
Tfus	424.96	K	Joback Calculated Property
Vc	1.101	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[841.47; 931.02]	J/mol×K	[768.03; 953.00]
Cp,gas	841.47	J/mol×K	768.03	Joback Calculated Property
Cp,gas	858.73	J/mol×K	798.86	Joback Calculated Property
Cp,gas	875.02	J/mol×K	829.69	Joback Calculated Property
Cp,gas	890.36	J/mol×K	860.52	Joback Calculated Property
Cp,gas	904.80	J/mol×K	891.34	Joback Calculated Property
Cp,gas	918.34	J/mol×K	922.17	Joback Calculated Property
Cp,gas	931.02	J/mol×K	953.00	Joback Calculated Property

Similar Compounds

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

Sources

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

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