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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.0332		Relay (1.0) Calculated Property
ΔfG°	-1169.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-1812.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.44	kJ/mol	Joback Calculated Property
ΔvapH°	99.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.56	eV	Relay (1.0) Calculated Property
log10WS	-8.33		Relay (1.0) 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	616.96	K	Relay (1.0) Calculated Property
Tc	814.87	K	Relay (1.0) Calculated Property
Tfus	328.15	K	Relay (1.0) Calculated Property
Vc	1.211	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• 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.