Chemical Properties of 4-Fluoro-2-trifluoromethylbenzoic acid, undecyl ester

InChI

InChI=1S/C19H26F4O2/c1-2-3-4-5-6-7-8-9-10-13-25-18(24)16-12-11-15(20)14-17(16)19(21,22)23/h11-12,14H,2-10,13H2,1H3

InChI Key

DZFFBCFURBDZOL-UHFFFAOYSA-N

Formula

C19H26F4O2

SMILES

CCCCCCCCCCCOC(=O)c1ccc(F)cc1C(F)(F)F

Molecular Weight¹

362.40

• 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	0.9159		Relay (1.0) Calculated Property
ΔfG°	-808.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-1339.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.92	kJ/mol	Joback Calculated Property
ΔvapH°	89.26	kJ/mol	Relay (1.0) Calculated Property
IE	9.39	eV	Relay (1.0) Calculated Property
log10WS	-7.06		Relay (1.0) Calculated Property
logPoct/wat	6.532		Crippen Calculated Property
McVol	269.330	ml/mol	McGowan Calculated Property
Pc	1225.98	kPa	Joback Calculated Property
Inp	[2017.00; 2017.00]
Inp	2017.00		NIST
Inp	2017.00		NIST
Tboil	598.98	K	Relay (1.0) Calculated Property
Tc	779.10	K	Relay (1.0) Calculated Property
Tfus	288.20	K	Relay (1.0) Calculated Property
Vc	1.019	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[800.14; 883.62]	J/mol×K	[740.90; 919.72]
Cp,gas	800.14	J/mol×K	740.90	Joback Calculated Property
Cp,gas	816.18	J/mol×K	770.70	Joback Calculated Property
Cp,gas	831.31	J/mol×K	800.51	Joback Calculated Property
Cp,gas	845.59	J/mol×K	830.31	Joback Calculated Property
Cp,gas	859.04	J/mol×K	860.11	Joback Calculated Property
Cp,gas	871.71	J/mol×K	889.92	Joback Calculated Property
Cp,gas	883.62	J/mol×K	919.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Fluoro-2-trifluoromethylbenzoic acid, undecyl ester.

Sources

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

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