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

InChI

InChI=1S/C21H31FO4/c1-3-16-25-20(23)10-8-6-4-5-7-9-11-21(24)26-17(2)18-12-14-19(22)15-13-18/h12-15,17H,3-11,16H2,1-2H3

InChI Key

HOZSYUPFKGIXCM-UHFFFAOYSA-N

Formula

C21H31FO4

SMILES

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

Molecular Weight¹

366.47

• 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°	-436.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-942.70	kJ/mol	Joback Calculated Property
ΔfusH°	48.93	kJ/mol	Joback Calculated Property
ΔvapH°	82.38	kJ/mol	Joback Calculated Property
log10WS	-6.23		Crippen Calculated Property
logPoct/wat	5.504		Crippen Calculated Property
McVol	299.640	ml/mol	McGowan Calculated Property
Pc	1219.99	kPa	Joback Calculated Property
Inp	[2463.00; 2463.00]
Inp	2463.00		NIST
Inp	2463.00		NIST
Tboil	862.95	K	Joback Calculated Property
Tc	1062.30	K	Joback Calculated Property
Tfus	495.28	K	Joback Calculated Property
Vc	1.163	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[944.93; 1024.36]	J/mol×K	[862.95; 1062.30]
Cp,gas	944.93	J/mol×K	862.95	Joback Calculated Property
Cp,gas	961.00	J/mol×K	896.17	Joback Calculated Property
Cp,gas	975.91	J/mol×K	929.40	Joback Calculated Property
Cp,gas	989.67	J/mol×K	962.62	Joback Calculated Property
Cp,gas	1002.32	J/mol×K	995.85	Joback Calculated Property
Cp,gas	1013.87	J/mol×K	1029.07	Joback Calculated Property
Cp,gas	1024.36	J/mol×K	1062.30	Joback Calculated Property

Similar Compounds

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

Sources

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

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