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

InChI

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

InChI Key

XRKJJYZSEWPTPO-UHFFFAOYSA-N

Formula

C21H32F2O2

SMILES

CCCCCCCCCCCC(C)OC(=O)c1c(F)ccc(C)c1F

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°	-416.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-916.95	kJ/mol	Joback Calculated Property
ΔfusH°	48.44	kJ/mol	Joback Calculated Property
ΔvapH°	73.74	kJ/mol	Joback Calculated Property
log10WS	-7.99		Crippen Calculated Property
logPoct/wat	6.739		Crippen Calculated Property
McVol	293.970	ml/mol	McGowan Calculated Property
Pc	1123.06	kPa	Joback Calculated Property
Inp	[2330.00; 2330.00]
Inp	2330.00		NIST
Inp	2330.00		NIST
Tboil	795.89	K	Joback Calculated Property
Tc	982.92	K	Joback Calculated Property
Tfus	448.75	K	Joback Calculated Property
Vc	1.157	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[900.22; 990.69]	J/mol×K	[795.89; 982.92]
Cp,gas	900.22	J/mol×K	795.89	Joback Calculated Property
Cp,gas	917.73	J/mol×K	827.06	Joback Calculated Property
Cp,gas	934.23	J/mol×K	858.23	Joback Calculated Property
Cp,gas	949.75	J/mol×K	889.41	Joback Calculated Property
Cp,gas	964.32	J/mol×K	920.58	Joback Calculated Property
Cp,gas	977.96	J/mol×K	951.75	Joback Calculated Property
Cp,gas	990.69	J/mol×K	982.92	Joback Calculated Property

Similar Compounds

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

Sources

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

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