Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, 2-tridecyl ester

InChI

InChI=1S/C22H30F6O2/c1-3-4-5-6-7-8-9-10-11-12-16(2)30-20(29)18-15-17(21(23,24)25)13-14-19(18)22(26,27)28/h13-16H,3-12H2,1-2H3

InChI Key

UOUKZXMZYOACTG-UHFFFAOYSA-N

Formula

C22H30F6O2

SMILES

CCCCCCCCCCCC(C)OC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F

Molecular Weight¹

440.46

• 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°	-1172.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-1728.06	kJ/mol	Joback Calculated Property
ΔfusH°	48.91	kJ/mol	Joback Calculated Property
ΔvapH°	69.44	kJ/mol	Joback Calculated Property
log10WS	-9.06		Crippen Calculated Property
logPoct/wat	8.190		Crippen Calculated Property
McVol	315.140	ml/mol	McGowan Calculated Property
Pc	972.30	kPa	Joback Calculated Property
Inp	[2061.00; 2061.00]
Inp	2061.00		NIST
Inp	2061.00		NIST
Tboil	804.41	K	Joback Calculated Property
Tc	987.45	K	Joback Calculated Property
Tfus	454.70	K	Joback Calculated Property
Vc	1.264	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[992.24; 1078.31]	J/mol×K	[804.41; 987.45]
Cp,gas	992.24	J/mol×K	804.41	Joback Calculated Property
Cp,gas	1008.88	J/mol×K	834.92	Joback Calculated Property
Cp,gas	1024.53	J/mol×K	865.42	Joback Calculated Property
Cp,gas	1039.24	J/mol×K	895.93	Joback Calculated Property
Cp,gas	1053.07	J/mol×K	926.44	Joback Calculated Property
Cp,gas	1066.07	J/mol×K	956.94	Joback Calculated Property
Cp,gas	1078.31	J/mol×K	987.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 2-tridecyl ester.

Sources

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

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