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

InChI

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

InChI Key

RLDSGWOTKKRYKG-UHFFFAOYSA-N

Formula

C21H32F2O2

SMILES

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

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	[2200.00; 2200.00]
Inp	2200.00		NIST
Inp	2200.00		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 3,4-Difluorobenzoic acid, 2-tetradecyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.