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

InChI

InChI=1S/C24H27F3O4/c1-2-3-4-5-6-10-17-30-22(28)19-13-15-20(16-14-19)23(29)31-21(24(25,26)27)18-11-8-7-9-12-18/h7-9,11-16,21H,2-6,10,17H2,1H3

InChI Key

BUTFKYREQLJFKU-UHFFFAOYSA-N

Formula

C24H27F3O4

SMILES

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

Molecular Weight¹

436.46

• 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°	-685.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1169.06	kJ/mol	Joback Calculated Property
ΔfusH°	49.49	kJ/mol	Joback Calculated Property
ΔvapH°	88.41	kJ/mol	Joback Calculated Property
log10WS	-8.04		Crippen Calculated Property
logPoct/wat	6.664		Crippen Calculated Property
McVol	321.690	ml/mol	McGowan Calculated Property
Pc	1196.48	kPa	Joback Calculated Property
Inp	[2534.00; 2534.00]
Inp	2534.00		NIST
Inp	2534.00		NIST
Tboil	953.58	K	Joback Calculated Property
Tc	1171.54	K	Joback Calculated Property
Tfus	559.11	K	Joback Calculated Property
Vc	1.248	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1038.40; 1103.59]	J/mol×K	[953.58; 1171.54]
Cp,gas	1038.40	J/mol×K	953.58	Joback Calculated Property
Cp,gas	1052.09	J/mol×K	989.91	Joback Calculated Property
Cp,gas	1064.56	J/mol×K	1026.23	Joback Calculated Property
Cp,gas	1075.86	J/mol×K	1062.56	Joback Calculated Property
Cp,gas	1086.09	J/mol×K	1098.89	Joback Calculated Property
Cp,gas	1095.31	J/mol×K	1135.21	Joback Calculated Property
Cp,gas	1103.59	J/mol×K	1171.54	Joback Calculated Property

Similar Compounds

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

Sources

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

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