Chemical Properties of Sebacic acid, 2-(pentafluorophenoxy)ethyl pentyl ester

InChI

InChI=1S/C23H31F5O5/c1-2-3-10-13-31-16(29)11-8-6-4-5-7-9-12-17(30)32-14-15-33-23-21(27)19(25)18(24)20(26)22(23)28/h2-15H2,1H3

InChI Key

JTTVHAIQEHGQMJ-UHFFFAOYSA-N

Formula

C23H31F5O5

SMILES

CCCCCOC(=O)CCCCCCCCC(=O)OCCOc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

482.48

• 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	1.2082		Relay (1.0) Calculated Property
ΔfG°	-1339.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-1807.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.58	kJ/mol	Joback Calculated Property
ΔvapH°	113.13	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-7.66		Relay (1.0) Calculated Property
logPoct/wat	6.158		Crippen Calculated Property
McVol	340.770	ml/mol	McGowan Calculated Property
Pc	907.24	kPa	Joback Calculated Property
Inp	[2590.00; 2590.00]
Inp	2590.00		NIST
Inp	2590.00		NIST
Tboil	648.59	K	Relay (1.0) Calculated Property
Tc	812.61	K	Relay (1.0) Calculated Property
Tfus	314.23	K	Relay (1.0) Calculated Property
Vc	1.293	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1119.78; 1188.14]	J/mol×K	[948.57; 1167.15]
Cp,gas	1119.78	J/mol×K	948.57	Joback Calculated Property
Cp,gas	1135.20	J/mol×K	985.00	Joback Calculated Property
Cp,gas	1149.01	J/mol×K	1021.43	Joback Calculated Property
Cp,gas	1161.20	J/mol×K	1057.86	Joback Calculated Property
Cp,gas	1171.79	J/mol×K	1094.29	Joback Calculated Property
Cp,gas	1180.77	J/mol×K	1130.72	Joback Calculated Property
Cp,gas	1188.14	J/mol×K	1167.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2-(pentafluorophenoxy)ethyl pentyl ester.

Sources

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

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