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

InChI

InChI=1S/C23H32F6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-31-21(30)19-17-18(22(24,25)26)14-15-20(19)23(27,28)29/h14-15,17H,2-13,16H2,1H3

InChI Key

DLHDVUUBMKJPNF-UHFFFAOYSA-N

Formula

C23H32F6O2

SMILES

CCCCCCCCCCCCCCOC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F

Molecular Weight¹

454.49

• 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	1.0700		Relay (1.0) Calculated Property
ΔfG°	-1161.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-1831.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.03	kJ/mol	Joback Calculated Property
ΔvapH°	104.07	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-8.60		Relay (1.0) Calculated Property
logPoct/wat	8.582		Crippen Calculated Property
McVol	329.230	ml/mol	McGowan Calculated Property
Pc	912.18	kPa	Joback Calculated Property
Inp	[2219.00; 2219.00]
Inp	2219.00		NIST
Inp	2219.00		NIST
Tboil	626.45	K	Relay (1.0) Calculated Property
Tc	823.93	K	Relay (1.0) Calculated Property
Tfus	330.65	K	Relay (1.0) Calculated Property
Vc	1.265	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1051.52; 1139.73]	J/mol×K	[827.73; 1013.89]
Cp,gas	1051.52	J/mol×K	827.73	Joback Calculated Property
Cp,gas	1068.56	J/mol×K	858.76	Joback Calculated Property
Cp,gas	1084.59	J/mol×K	889.78	Joback Calculated Property
Cp,gas	1099.65	J/mol×K	920.81	Joback Calculated Property
Cp,gas	1113.82	J/mol×K	951.84	Joback Calculated Property
Cp,gas	1127.16	J/mol×K	982.86	Joback Calculated Property
Cp,gas	1139.73	J/mol×K	1013.89	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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