Chemical Properties of Sebacic acid, hexyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C21H32F8O4/c1-2-3-4-11-14-32-16(30)12-9-7-5-6-8-10-13-17(31)33-15-19(24,25)21(28,29)20(26,27)18(22)23/h18H,2-15H2,1H3

InChI Key

MQPWDHUQOFKIFV-UHFFFAOYSA-N

Formula

C21H32F8O4

SMILES

CCCCCCOC(=O)CCCCCCCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

500.46

• 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°	-1894.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-2566.78	kJ/mol	Joback Calculated Property
ΔfusH°	54.59	kJ/mol	Joback Calculated Property
ΔvapH°	69.84	kJ/mol	Joback Calculated Property
log10WS	-7.59		Crippen Calculated Property
logPoct/wat	6.945		Crippen Calculated Property
McVol	335.790	ml/mol	McGowan Calculated Property
Pc	846.53	kPa	Joback Calculated Property
Inp	[2252.00; 2252.00]
Inp	2252.00		NIST
Inp	2252.00		NIST
Tboil	816.49	K	Joback Calculated Property
Tc	1000.80	K	Joback Calculated Property
Tfus	467.73	K	Joback Calculated Property
Vc	1.365	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1092.24; 1179.59]	J/mol×K	[816.49; 1000.80]
Cp,gas	1092.24	J/mol×K	816.49	Joback Calculated Property
Cp,gas	1109.25	J/mol×K	847.21	Joback Calculated Property
Cp,gas	1125.20	J/mol×K	877.93	Joback Calculated Property
Cp,gas	1140.14	J/mol×K	908.64	Joback Calculated Property
Cp,gas	1154.15	J/mol×K	939.36	Joback Calculated Property
Cp,gas	1167.28	J/mol×K	970.08	Joback Calculated Property
Cp,gas	1179.59	J/mol×K	1000.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, hexyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

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

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