Chemical Properties of Terephthalic acid, butyl 4-fluorophenethyl ester

InChI

InChI=1S/C20H21FO4/c1-2-3-13-24-19(22)16-6-8-17(9-7-16)20(23)25-14-12-15-4-10-18(21)11-5-15/h4-11H,2-3,12-14H2,1H3

InChI Key

XVINQLQRNYMTDZ-UHFFFAOYSA-N

Formula

C20H21FO4

SMILES

CCCCOC(=O)c1ccc(C(=O)OCCc2ccc(F)cc2)cc1

Molecular Weight¹

344.38

• 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	0.9117		Relay (1.0) Calculated Property
ΔfG°	-339.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-812.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.51	kJ/mol	Joback Calculated Property
ΔvapH°	110.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-5.59		Relay (1.0) Calculated Property
logPoct/wat	4.182		Crippen Calculated Property
McVol	261.790	ml/mol	McGowan Calculated Property
Pc	1653.80	kPa	Joback Calculated Property
Inp	[2701.00; 2701.00]
Inp	2701.00		NIST
Inp	2701.00		NIST
Tboil	669.01	K	Relay (1.0) Calculated Property
Tc	885.07	K	Relay (1.0) Calculated Property
Tfus	298.59	K	Relay (1.0) Calculated Property
Vc	0.971	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[787.68; 851.56]	J/mol×K	[872.17; 1090.48]
Cp,gas	787.68	J/mol×K	872.17	Joback Calculated Property
Cp,gas	801.27	J/mol×K	908.56	Joback Calculated Property
Cp,gas	813.65	J/mol×K	944.94	Joback Calculated Property
Cp,gas	824.84	J/mol×K	981.33	Joback Calculated Property
Cp,gas	834.86	J/mol×K	1017.71	Joback Calculated Property
Cp,gas	843.76	J/mol×K	1054.10	Joback Calculated Property
Cp,gas	851.56	J/mol×K	1090.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, butyl 4-fluorophenethyl ester.

Sources

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

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