Chemical Properties of Sebacic acid, ethyl 1-(4-fluorophenyl)ethyl ester

InChI

InChI=1S/C20H29FO4/c1-3-24-19(22)10-8-6-4-5-7-9-11-20(23)25-16(2)17-12-14-18(21)15-13-17/h12-16H,3-11H2,1-2H3

InChI Key

BPOULRRXPIZLSA-UHFFFAOYSA-N

Formula

C20H29FO4

SMILES

CCOC(=O)CCCCCCCCC(=O)OC(C)c1ccc(F)cc1

Molecular Weight¹

352.44

• 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	0.9209		Relay (1.0) Calculated Property
ΔfG°	-444.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-1059.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.34	kJ/mol	Joback Calculated Property
ΔvapH°	105.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-5.06		Relay (1.0) Calculated Property
logPoct/wat	5.114		Crippen Calculated Property
McVol	285.550	ml/mol	McGowan Calculated Property
Pc	1306.12	kPa	Joback Calculated Property
Inp	[2370.00; 2370.00]
Inp	2370.00		NIST
Inp	2370.00		NIST
Tboil	614.41	K	Relay (1.0) Calculated Property
Tc	814.40	K	Relay (1.0) Calculated Property
Tfus	292.20	K	Relay (1.0) Calculated Property
Vc	1.068	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[885.60; 964.34]	J/mol×K	[840.07; 1037.81]
Cp,gas	885.60	J/mol×K	840.07	Joback Calculated Property
Cp,gas	901.44	J/mol×K	873.03	Joback Calculated Property
Cp,gas	916.17	J/mol×K	905.98	Joback Calculated Property
Cp,gas	929.79	J/mol×K	938.94	Joback Calculated Property
Cp,gas	942.35	J/mol×K	971.90	Joback Calculated Property
Cp,gas	953.86	J/mol×K	1004.86	Joback Calculated Property
Cp,gas	964.34	J/mol×K	1037.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, ethyl 1-(4-fluorophenyl)ethyl ester.

Sources

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

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