Chemical Properties of Terephthalic acid, octyl 2,2,2-trifluoroethyl ester

InChI

InChI=1S/C18H23F3O4/c1-2-3-4-5-6-7-12-24-16(22)14-8-10-15(11-9-14)17(23)25-13-18(19,20)21/h8-11H,2-7,12-13H2,1H3

InChI Key

OWVJZURNGCWOET-UHFFFAOYSA-N

Formula

C18H23F3O4

SMILES

CCCCCCCCOC(=O)c1ccc(C(=O)OCC(F)(F)F)cc1

Molecular Weight¹

360.37

• 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°	-845.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-1276.47	kJ/mol	Joback Calculated Property
ΔfusH°	43.43	kJ/mol	Joback Calculated Property
ΔvapH°	73.17	kJ/mol	Joback Calculated Property
log10WS	-5.97		Crippen Calculated Property
logPoct/wat	4.923		Crippen Calculated Property
McVol	260.910	ml/mol	McGowan Calculated Property
Pc	1419.71	kPa	Joback Calculated Property
Inp	[2329.00; 2329.00]
Inp	2329.00		NIST
Inp	2329.00		NIST
Tboil	790.06	K	Joback Calculated Property
Tc	980.80	K	Joback Calculated Property
Tfus	480.07	K	Joback Calculated Property
Vc	1.026	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[785.53; 858.49]	J/mol×K	[790.06; 980.80]
Cp,gas	785.53	J/mol×K	790.06	Joback Calculated Property
Cp,gas	799.99	J/mol×K	821.85	Joback Calculated Property
Cp,gas	813.48	J/mol×K	853.64	Joback Calculated Property
Cp,gas	826.05	J/mol×K	885.43	Joback Calculated Property
Cp,gas	837.71	J/mol×K	917.22	Joback Calculated Property
Cp,gas	848.52	J/mol×K	949.01	Joback Calculated Property
Cp,gas	858.49	J/mol×K	980.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, octyl 2,2,2-trifluoroethyl ester.

Sources

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

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