Chemical Properties of Sebacic acid, ethyl 2-(2-fluorophenyl)ethyl ester

InChI

InChI=1S/C20H29FO4/c1-2-24-19(22)13-7-5-3-4-6-8-14-20(23)25-16-15-17-11-9-10-12-18(17)21/h9-12H,2-8,13-16H2,1H3

InChI Key

QDROTWXMXINCHK-UHFFFAOYSA-N

Formula

C20H29FO4

SMILES

CCOC(=O)CCCCCCCCC(=O)OCCc1ccccc1F

Molecular Weight¹

352.44

• 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).
• 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
ΔfG°	-442.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-916.78	kJ/mol	Joback Calculated Property
ΔfusH°	49.86	kJ/mol	Joback Calculated Property
ΔvapH°	80.55	kJ/mol	Joback Calculated Property
log10WS	-5.35		Crippen Calculated Property
logPoct/wat	4.595		Crippen Calculated Property
McVol	285.550	ml/mol	McGowan Calculated Property
Pc	1298.60	kPa	Joback Calculated Property
Inp	[2471.00; 2471.00]
Inp	2471.00		NIST
Inp	2471.00		NIST
Tboil	840.51	K	Joback Calculated Property
Tc	1036.82	K	Joback Calculated Property
Tfus	499.01	K	Joback Calculated Property
Vc	1.113	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[885.09; 963.58]	J/mol×K	[840.51; 1036.82]
Cp,gas	885.09	J/mol×K	840.51	Joback Calculated Property
Cp,gas	900.82	J/mol×K	873.23	Joback Calculated Property
Cp,gas	915.47	J/mol×K	905.95	Joback Calculated Property
Cp,gas	929.04	J/mol×K	938.67	Joback Calculated Property
Cp,gas	941.57	J/mol×K	971.38	Joback Calculated Property
Cp,gas	953.08	J/mol×K	1004.10	Joback Calculated Property
Cp,gas	963.58	J/mol×K	1036.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, ethyl 2-(2-fluorophenyl)ethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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