Chemical Properties of Terephthalic acid, octyl 4-trifluoromethoxybenzyl ester

InChI

InChI=1S/C24H27F3O5/c1-2-3-4-5-6-7-16-30-22(28)19-10-12-20(13-11-19)23(29)31-17-18-8-14-21(15-9-18)32-24(25,26)27/h8-15H,2-7,16-17H2,1H3

InChI Key

ULNGODAOPFHIAA-UHFFFAOYSA-N

Formula

C24H27F3O5

SMILES

CCCCCCCCOC(=O)c1ccc(C(=O)OCc2ccc(OC(F)(F)F)cc2)cc1

Molecular Weight¹

452.46

• 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°	-797.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-1307.47	kJ/mol	Joback Calculated Property
ΔfusH°	53.81	kJ/mol	Joback Calculated Property
ΔvapH°	91.87	kJ/mol	Joback Calculated Property
log10WS	-8.27		Crippen Calculated Property
logPoct/wat	6.460		Crippen Calculated Property
McVol	327.560	ml/mol	McGowan Calculated Property
Pc	1164.04	kPa	Joback Calculated Property
Inp	[2868.00; 2868.00]
Inp	2868.00		NIST
Inp	2868.00		NIST
Tboil	981.42	K	Joback Calculated Property
Tc	1202.69	K	Joback Calculated Property
Tfus	608.86	K	Joback Calculated Property
Vc	1.272	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1063.98; 1121.20]	J/mol×K	[981.42; 1202.69]
Cp,gas	1063.98	J/mol×K	981.42	Joback Calculated Property
Cp,gas	1076.77	J/mol×K	1018.30	Joback Calculated Property
Cp,gas	1088.19	J/mol×K	1055.18	Joback Calculated Property
Cp,gas	1098.28	J/mol×K	1092.05	Joback Calculated Property
Cp,gas	1107.12	J/mol×K	1128.93	Joback Calculated Property
Cp,gas	1114.74	J/mol×K	1165.81	Joback Calculated Property
Cp,gas	1121.20	J/mol×K	1202.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, octyl 4-trifluoromethoxybenzyl ester.

Sources

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

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