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

InChI

InChI=1S/C23H35FO4/c1-3-4-11-18-27-22(25)12-9-7-5-6-8-10-13-23(26)28-19(2)20-14-16-21(24)17-15-20/h14-17,19H,3-13,18H2,1-2H3

InChI Key

SGKHOWHITQVVOT-UHFFFAOYSA-N

Formula

C23H35FO4

SMILES

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

Molecular Weight¹

394.52

• 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°	-419.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-983.98	kJ/mol	Joback Calculated Property
ΔfusH°	54.11	kJ/mol	Joback Calculated Property
ΔvapH°	86.84	kJ/mol	Joback Calculated Property
log10WS	-7.07		Crippen Calculated Property
logPoct/wat	6.284		Crippen Calculated Property
McVol	327.820	ml/mol	McGowan Calculated Property
Pc	1071.46	kPa	Joback Calculated Property
Inp	[2658.00; 2658.00]
Inp	2658.00		NIST
Inp	2658.00		NIST
Tboil	908.71	K	Joback Calculated Property
Tc	1113.66	K	Joback Calculated Property
Tfus	517.82	K	Joback Calculated Property
Vc	1.276	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1065.62; 1146.25]	J/mol×K	[908.71; 1113.66]
Cp,gas	1065.62	J/mol×K	908.71	Joback Calculated Property
Cp,gas	1082.18	J/mol×K	942.87	Joback Calculated Property
Cp,gas	1097.44	J/mol×K	977.03	Joback Calculated Property
Cp,gas	1111.45	J/mol×K	1011.19	Joback Calculated Property
Cp,gas	1124.23	J/mol×K	1045.35	Joback Calculated Property
Cp,gas	1135.82	J/mol×K	1079.50	Joback Calculated Property
Cp,gas	1146.25	J/mol×K	1113.66	Joback Calculated Property

Similar Compounds

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

Sources

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

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