Chemical Properties of Terephthalic acid, ethyl 2,2,2-trifluoro-1-phenylethyl ester

InChI

InChI=1S/C18H15F3O4/c1-2-24-16(22)13-8-10-14(11-9-13)17(23)25-15(18(19,20)21)12-6-4-3-5-7-12/h3-11,15H,2H2,1H3

InChI Key

IFDHSKQHKMFHEA-UHFFFAOYSA-N

Formula

C18H15F3O4

SMILES

CCOC(=O)c1ccc(C(=O)OC(c2ccccc2)C(F)(F)F)cc1

Molecular Weight¹

352.30

• 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°	-736.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-1045.22	kJ/mol	Joback Calculated Property
ΔfusH°	33.95	kJ/mol	Joback Calculated Property
ΔvapH°	75.05	kJ/mol	Joback Calculated Property
log10WS	-5.53		Crippen Calculated Property
logPoct/wat	4.324		Crippen Calculated Property
McVol	237.150	ml/mol	McGowan Calculated Property
Pc	1865.94	kPa	Joback Calculated Property
Inp	[2198.00; 2198.00]
Inp	2198.00		NIST
Inp	2198.00		NIST
Tboil	816.30	K	Joback Calculated Property
Tc	1034.62	K	Joback Calculated Property
Tfus	491.49	K	Joback Calculated Property
Vc	0.912	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[693.03; 753.30]	J/mol×K	[816.30; 1034.62]
Cp,gas	693.03	J/mol×K	816.30	Joback Calculated Property
Cp,gas	705.75	J/mol×K	852.69	Joback Calculated Property
Cp,gas	717.32	J/mol×K	889.07	Joback Calculated Property
Cp,gas	727.81	J/mol×K	925.46	Joback Calculated Property
Cp,gas	737.26	J/mol×K	961.85	Joback Calculated Property
Cp,gas	745.74	J/mol×K	998.23	Joback Calculated Property
Cp,gas	753.30	J/mol×K	1034.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, ethyl 2,2,2-trifluoro-1-phenylethyl ester.

Sources

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

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