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

InChI

InChI=1S/C23H31F5O4/c1-3-4-11-14-31-16(29)12-9-7-5-6-8-10-13-17(30)32-15(2)18-19(24)21(26)23(28)22(27)20(18)25/h15H,3-14H2,1-2H3

InChI Key

FKIQKTJTNLCKRI-UHFFFAOYSA-N

Formula

C23H31F5O4

SMILES

CCCCCOC(=O)CCCCCCCCC(=O)OC(C)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

466.48

• 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	1.1057		Relay (1.0) Calculated Property
ΔfG°	-1237.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-1719.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.87	kJ/mol	Joback Calculated Property
ΔvapH°	106.60	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-7.55		Relay (1.0) Calculated Property
logPoct/wat	6.840		Crippen Calculated Property
McVol	334.900	ml/mol	McGowan Calculated Property
Pc	921.06	kPa	Joback Calculated Property
Inp	[2513.00; 2513.00]
Inp	2513.00		NIST
Inp	2513.00		NIST
Tboil	626.47	K	Relay (1.0) Calculated Property
Tc	803.03	K	Relay (1.0) Calculated Property
Tfus	316.46	K	Relay (1.0) Calculated Property
Vc	1.261	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1091.30; 1165.39]	J/mol×K	[925.71; 1135.53]
Cp,gas	1091.30	J/mol×K	925.71	Joback Calculated Property
Cp,gas	1107.06	J/mol×K	960.68	Joback Calculated Property
Cp,gas	1121.43	J/mol×K	995.65	Joback Calculated Property
Cp,gas	1134.43	J/mol×K	1030.62	Joback Calculated Property
Cp,gas	1146.08	J/mol×K	1065.59	Joback Calculated Property
Cp,gas	1156.40	J/mol×K	1100.56	Joback Calculated Property
Cp,gas	1165.39	J/mol×K	1135.53	Joback Calculated Property

Similar Compounds

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

Sources

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

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