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

InChI

InChI=1S/C24H33F5O4/c1-3-4-5-12-15-32-17(30)13-10-8-6-7-9-11-14-18(31)33-16(2)19-20(25)22(27)24(29)23(28)21(19)26/h16H,3-15H2,1-2H3

InChI Key

QEPHAVQIBIRGAQ-UHFFFAOYSA-N

Formula

C24H33F5O4

SMILES

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

Molecular Weight¹

480.51

• 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	1.1412		Relay (1.0) Calculated Property
ΔfG°	-1228.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-1737.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	67.46	kJ/mol	Joback Calculated Property
ΔvapH°	110.21	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
log10WS	-7.82		Relay (1.0) Calculated Property
logPoct/wat	7.231		Crippen Calculated Property
McVol	348.990	ml/mol	McGowan Calculated Property
Pc	869.65	kPa	Joback Calculated Property
Inp	[2609.00; 2609.00]
Inp	2609.00		NIST
Inp	2609.00		NIST
Tboil	635.54	K	Relay (1.0) Calculated Property
Tc	811.54	K	Relay (1.0) Calculated Property
Tfus	319.18	K	Relay (1.0) Calculated Property
Vc	1.314	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1152.18; 1226.98]	J/mol×K	[948.59; 1166.26]
Cp,gas	1152.18	J/mol×K	948.59	Joback Calculated Property
Cp,gas	1168.40	J/mol×K	984.87	Joback Calculated Property
Cp,gas	1183.09	J/mol×K	1021.15	Joback Calculated Property
Cp,gas	1196.27	J/mol×K	1057.43	Joback Calculated Property
Cp,gas	1207.97	J/mol×K	1093.70	Joback Calculated Property
Cp,gas	1218.20	J/mol×K	1129.98	Joback Calculated Property
Cp,gas	1226.98	J/mol×K	1166.26	Joback Calculated Property

Similar Compounds

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

Sources

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

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