Chemical Properties of Sebacic acid, 3-fluorophenyl pentyl ester

InChI

InChI=1S/C21H31FO4/c1-2-3-10-16-25-20(23)14-8-6-4-5-7-9-15-21(24)26-19-13-11-12-18(22)17-19/h11-13,17H,2-10,14-16H2,1H3

InChI Key

BSIXWGJZHZCDKM-UHFFFAOYSA-N

Formula

C21H31FO4

SMILES

CCCCCOC(=O)CCCCCCCCC(=O)Oc1cccc(F)c1

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°	-433.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-937.42	kJ/mol	Joback Calculated Property
ΔfusH°	52.45	kJ/mol	Joback Calculated Property
ΔvapH°	82.77	kJ/mol	Joback Calculated Property
log10WS	-6.42		Crippen Calculated Property
logPoct/wat	5.585		Crippen Calculated Property
McVol	299.640	ml/mol	McGowan Calculated Property
Pc	1213.20	kPa	Joback Calculated Property
Inp	[2583.00; 2583.00]
Inp	2583.00		NIST
Inp	2583.00		NIST
Tboil	863.39	K	Joback Calculated Property
Tc	1061.63	K	Joback Calculated Property
Tfus	510.28	K	Joback Calculated Property
Vc	1.169	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[944.43; 1023.76]	J/mol×K	[863.39; 1061.63]
Cp,gas	944.43	J/mol×K	863.39	Joback Calculated Property
Cp,gas	960.43	J/mol×K	896.43	Joback Calculated Property
Cp,gas	975.28	J/mol×K	929.47	Joback Calculated Property
Cp,gas	989.02	J/mol×K	962.51	Joback Calculated Property
Cp,gas	1001.66	J/mol×K	995.55	Joback Calculated Property
Cp,gas	1013.24	J/mol×K	1028.59	Joback Calculated Property
Cp,gas	1023.76	J/mol×K	1061.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 3-fluorophenyl pentyl ester.

Sources

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

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