Chemical Properties of Phthalic acid, 2,2,2-trifluoro-1-phenylethyl undecyl ester

InChI

InChI=1S/C27H33F3O4/c1-2-3-4-5-6-7-8-9-15-20-33-25(31)22-18-13-14-19-23(22)26(32)34-24(27(28,29)30)21-16-11-10-12-17-21/h10-14,16-19,24H,2-9,15,20H2,1H3

InChI Key

KLOBUMUNUSSNII-UHFFFAOYSA-N

Formula

C27H33F3O4

SMILES

CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC(c1ccccc1)C(F)(F)F

Molecular Weight¹

478.54

• 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°	-660.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-1230.98	kJ/mol	Joback Calculated Property
ΔfusH°	57.26	kJ/mol	Joback Calculated Property
ΔvapH°	95.09	kJ/mol	Joback Calculated Property
log10WS	-9.30		Crippen Calculated Property
logPoct/wat	7.835		Crippen Calculated Property
McVol	363.960	ml/mol	McGowan Calculated Property
Pc	989.51	kPa	Joback Calculated Property
Inp	[2898.00; 2898.00]
Inp	2898.00		NIST
Inp	2898.00		NIST
Tboil	1022.22	K	Joback Calculated Property
Tc	1251.50	K	Joback Calculated Property
Tfus	592.92	K	Joback Calculated Property
Vc	1.417	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1219.44; 1287.23]	J/mol×K	[1022.22; 1251.50]
Cp,gas	1219.44	J/mol×K	1022.22	Joback Calculated Property
Cp,gas	1233.78	J/mol×K	1060.43	Joback Calculated Property
Cp,gas	1246.77	J/mol×K	1098.65	Joback Calculated Property
Cp,gas	1258.51	J/mol×K	1136.86	Joback Calculated Property
Cp,gas	1269.10	J/mol×K	1175.07	Joback Calculated Property
Cp,gas	1278.64	J/mol×K	1213.29	Joback Calculated Property
Cp,gas	1287.23	J/mol×K	1251.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,2,2-trifluoro-1-phenylethyl undecyl ester.

Sources

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

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