Chemical Properties of Terephthalic acid, propyl 4-trifluoromethoxybenzyl ester

InChI

InChI=1S/C19H17F3O5/c1-2-11-25-17(23)14-5-7-15(8-6-14)18(24)26-12-13-3-9-16(10-4-13)27-19(20,21)22/h3-10H,2,11-12H2,1H3

InChI Key

PEHYQLWVHLLNOZ-UHFFFAOYSA-N

Formula

C19H17F3O5

SMILES

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

Molecular Weight¹

382.33

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9122		Relay (1.0) Calculated Property
ΔfG°	-839.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1378.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.86	kJ/mol	Joback Calculated Property
ΔvapH°	95.98	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-5.72		Relay (1.0) Calculated Property
logPoct/wat	4.509		Crippen Calculated Property
McVol	257.110	ml/mol	McGowan Calculated Property
Pc	1664.61	kPa	Joback Calculated Property
Inp	[2418.00; 2418.00]
Inp	2418.00		NIST
Inp	2418.00		NIST
Tboil	653.58	K	Relay (1.0) Calculated Property
Tc	835.37	K	Relay (1.0) Calculated Property
Tfus	291.84	K	Relay (1.0) Calculated Property
Vc	0.948	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[773.36; 829.21]	J/mol×K	[867.02; 1081.34]
Cp,gas	773.36	J/mol×K	867.02	Joback Calculated Property
Cp,gas	785.48	J/mol×K	902.74	Joback Calculated Property
Cp,gas	796.42	J/mol×K	938.46	Joback Calculated Property
Cp,gas	806.24	J/mol×K	974.18	Joback Calculated Property
Cp,gas	814.95	J/mol×K	1009.90	Joback Calculated Property
Cp,gas	822.60	J/mol×K	1045.62	Joback Calculated Property
Cp,gas	829.21	J/mol×K	1081.34	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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