Chemical Properties of Terephthalic acid, ethyl 2-fluorophenethyl ester

InChI

InChI=1S/C18H17FO4/c1-2-22-17(20)14-7-9-15(10-8-14)18(21)23-12-11-13-5-3-4-6-16(13)19/h3-10H,2,11-12H2,1H3

InChI Key

VIPSOTSDCUZPCU-UHFFFAOYSA-N

Formula

C18H17FO4

SMILES

CCOC(=O)c1ccc(C(=O)OCCc2ccccc2F)cc1

Molecular Weight¹

316.32

• 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	0.8078		Relay (1.0) Calculated Property
ΔfG°	-356.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-775.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.33	kJ/mol	Joback Calculated Property
ΔvapH°	107.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-4.88		Relay (1.0) Calculated Property
logPoct/wat	3.402		Crippen Calculated Property
McVol	233.610	ml/mol	McGowan Calculated Property
Pc	1945.79	kPa	Joback Calculated Property
Inp	[2474.00; 2474.00]
Inp	2474.00		NIST
Inp	2474.00		NIST
Tboil	648.48	K	Relay (1.0) Calculated Property
Tc	870.06	K	Relay (1.0) Calculated Property
Tfus	314.19	K	Relay (1.0) Calculated Property
Vc	0.866	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[674.47; 737.16]	J/mol×K	[826.41; 1048.06]
Cp,gas	674.47	J/mol×K	826.41	Joback Calculated Property
Cp,gas	687.76	J/mol×K	863.35	Joback Calculated Property
Cp,gas	699.87	J/mol×K	900.29	Joback Calculated Property
Cp,gas	710.85	J/mol×K	937.23	Joback Calculated Property
Cp,gas	720.70	J/mol×K	974.18	Joback Calculated Property
Cp,gas	729.47	J/mol×K	1011.12	Joback Calculated Property
Cp,gas	737.16	J/mol×K	1048.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, ethyl 2-fluorophenethyl ester.

Sources

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

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