Chemical Properties of Terephthalic acid, ethyl 4-trifluoromethoxybenzyl ester

InChI

InChI=1S/C18H15F3O5/c1-2-24-16(22)13-5-7-14(8-6-13)17(23)25-11-12-3-9-15(10-4-12)26-18(19,20)21/h3-10H,2,11H2,1H3

InChI Key

RZPYWUZNBONJMY-UHFFFAOYSA-N

Formula

C18H15F3O5

SMILES

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

Molecular Weight¹

368.30

• 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°	-848.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-1183.63	kJ/mol	Joback Calculated Property
ΔfusH°	38.27	kJ/mol	Joback Calculated Property
ΔvapH°	78.51	kJ/mol	Joback Calculated Property
log10WS	-5.76		Crippen Calculated Property
logPoct/wat	4.119		Crippen Calculated Property
McVol	243.020	ml/mol	McGowan Calculated Property
Pc	1803.09	kPa	Joback Calculated Property
Inp	[2361.00; 2361.00]
Inp	2361.00		NIST
Inp	2361.00		NIST
Tboil	844.14	K	Joback Calculated Property
Tc	1059.40	K	Joback Calculated Property
Tfus	541.24	K	Joback Calculated Property
Vc	0.936	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[717.30; 772.44]	J/mol×K	[844.14; 1059.40]
Cp,gas	717.30	J/mol×K	844.14	Joback Calculated Property
Cp,gas	729.23	J/mol×K	880.02	Joback Calculated Property
Cp,gas	740.03	J/mol×K	915.89	Joback Calculated Property
Cp,gas	749.72	J/mol×K	951.77	Joback Calculated Property
Cp,gas	758.33	J/mol×K	987.64	Joback Calculated Property
Cp,gas	765.89	J/mol×K	1023.52	Joback Calculated Property
Cp,gas	772.44	J/mol×K	1059.40	Joback Calculated Property

Similar Compounds

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

Sources

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

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