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

InChI

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

InChI Key

HHPDXYAESUCGCY-UHFFFAOYSA-N

Formula

C22H30F6O2

SMILES

CCCCCCCCCCCCCOC(=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°	-1169.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-1722.78	kJ/mol	Joback Calculated Property
ΔfusH°	52.44	kJ/mol	Joback Calculated Property
ΔvapH°	69.83	kJ/mol	Joback Calculated Property
log10WS	-8.94		Crippen Calculated Property
logPoct/wat	8.192		Crippen Calculated Property
McVol	315.140	ml/mol	McGowan Calculated Property
Pc	967.47	kPa	Joback Calculated Property
Inp	[2124.00; 2124.00]
Inp	2124.00		NIST
Inp	2124.00		NIST
Tboil	804.85	K	Joback Calculated Property
Tc	987.23	K	Joback Calculated Property
Tfus	469.70	K	Joback Calculated Property
Vc	1.270	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[991.74; 1077.67]	J/mol×K	[804.85; 987.23]
Cp,gas	991.74	J/mol×K	804.85	Joback Calculated Property
Cp,gas	1008.32	J/mol×K	835.25	Joback Calculated Property
Cp,gas	1023.92	J/mol×K	865.64	Joback Calculated Property
Cp,gas	1038.60	J/mol×K	896.04	Joback Calculated Property
Cp,gas	1052.41	J/mol×K	926.44	Joback Calculated Property
Cp,gas	1065.41	J/mol×K	956.83	Joback Calculated Property
Cp,gas	1077.67	J/mol×K	987.23	Joback Calculated Property

Similar Compounds

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

Sources

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

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