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

InChI

InChI=1S/C21H32F2O2/c1-3-5-6-7-8-9-10-11-12-13-18(4-2)25-21(24)19-15-14-17(22)16-20(19)23/h14-16,18H,3-13H2,1-2H3

InChI Key

RNUDQGRHTSIVHK-UHFFFAOYSA-N

Formula

C21H32F2O2

SMILES

CCCCCCCCCCCC(CC)OC(=O)c1ccc(F)cc1F

Molecular Weight¹

354.47

• 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°	-406.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-905.48	kJ/mol	Joback Calculated Property
ΔfusH°	48.83	kJ/mol	Joback Calculated Property
ΔvapH°	73.07	kJ/mol	Joback Calculated Property
log10WS	-7.93		Crippen Calculated Property
logPoct/wat	6.821		Crippen Calculated Property
McVol	293.970	ml/mol	McGowan Calculated Property
Pc	1134.43	kPa	Joback Calculated Property
Inp	[2254.00; 2254.00]
Inp	2254.00		NIST
Inp	2254.00		NIST
Tboil	790.91	K	Joback Calculated Property
Tc	977.04	K	Joback Calculated Property
Tfus	436.23	K	Joback Calculated Property
Vc	1.157	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[900.46; 991.40]	J/mol×K	[790.91; 977.04]
Cp,gas	900.46	J/mol×K	790.91	Joback Calculated Property
Cp,gas	918.04	J/mol×K	821.93	Joback Calculated Property
Cp,gas	934.61	J/mol×K	852.95	Joback Calculated Property
Cp,gas	950.21	J/mol×K	883.98	Joback Calculated Property
Cp,gas	964.85	J/mol×K	915.00	Joback Calculated Property
Cp,gas	978.57	J/mol×K	946.02	Joback Calculated Property
Cp,gas	991.40	J/mol×K	977.04	Joback Calculated Property

Similar Compounds

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

Sources

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

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