Chemical Properties of Terephthalic acid, 2-fluorophenethyl propyl ester

InChI

InChI=1S/C19H19FO4/c1-2-12-23-18(21)15-7-9-16(10-8-15)19(22)24-13-11-14-5-3-4-6-17(14)20/h3-10H,2,11-13H2,1H3

InChI Key

HAXKYXYKDABKCU-UHFFFAOYSA-N

Formula

C19H19FO4

SMILES

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

Molecular Weight¹

330.35

• 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	0.8581		Relay (1.0) Calculated Property
ΔfG°	-347.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-787.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.92	kJ/mol	Joback Calculated Property
ΔvapH°	105.63	kJ/mol	Relay (1.0) Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
log10WS	-5.24		Relay (1.0) Calculated Property
logPoct/wat	3.792		Crippen Calculated Property
McVol	247.700	ml/mol	McGowan Calculated Property
Pc	1790.91	kPa	Joback Calculated Property
Inp	[2531.00; 2531.00]
Inp	2531.00		NIST
Inp	2531.00		NIST
Tboil	657.59	K	Relay (1.0) Calculated Property
Tc	876.94	K	Relay (1.0) Calculated Property
Tfus	316.74	K	Relay (1.0) Calculated Property
Vc	0.919	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[730.66; 794.06]	J/mol×K	[849.29; 1068.94]
Cp,gas	730.66	J/mol×K	849.29	Joback Calculated Property
Cp,gas	744.12	J/mol×K	885.90	Joback Calculated Property
Cp,gas	756.39	J/mol×K	922.51	Joback Calculated Property
Cp,gas	767.48	J/mol×K	959.12	Joback Calculated Property
Cp,gas	777.44	J/mol×K	995.72	Joback Calculated Property
Cp,gas	786.29	J/mol×K	1032.33	Joback Calculated Property
Cp,gas	794.06	J/mol×K	1068.94	Joback Calculated Property

Similar Compounds

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

Sources

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

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