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

InChI

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

InChI Key

RZCDMHNCZOSTSL-UHFFFAOYSA-N

Formula

C21H32F2O2

SMILES

CCCCCCCCCCCCCOC(=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°	-414.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-911.67	kJ/mol	Joback Calculated Property
ΔfusH°	51.97	kJ/mol	Joback Calculated Property
ΔvapH°	74.12	kJ/mol	Joback Calculated Property
log10WS	-7.88		Crippen Calculated Property
logPoct/wat	6.741		Crippen Calculated Property
McVol	293.970	ml/mol	McGowan Calculated Property
Pc	1117.06	kPa	Joback Calculated Property
Inp	[2412.00; 2412.00]
Inp	2412.00		NIST
Inp	2412.00		NIST
Tboil	796.33	K	Joback Calculated Property
Tc	982.04	K	Joback Calculated Property
Tfus	463.75	K	Joback Calculated Property
Vc	1.163	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[899.72; 989.77]	J/mol×K	[796.33; 982.04]
Cp,gas	899.72	J/mol×K	796.33	Joback Calculated Property
Cp,gas	917.10	J/mol×K	827.28	Joback Calculated Property
Cp,gas	933.50	J/mol×K	858.23	Joback Calculated Property
Cp,gas	948.94	J/mol×K	889.19	Joback Calculated Property
Cp,gas	963.45	J/mol×K	920.14	Joback Calculated Property
Cp,gas	977.05	J/mol×K	951.09	Joback Calculated Property
Cp,gas	989.77	J/mol×K	982.04	Joback Calculated Property

Similar Compounds

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

Sources

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

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