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

InChI

InChI=1S/C26H42F8O4/c1-2-3-4-5-6-7-10-13-16-19-37-21(35)17-14-11-8-9-12-15-18-22(36)38-20-24(29,30)26(33,34)25(31,32)23(27)28/h23H,2-20H2,1H3

InChI Key

OKGQSDAHKXVHCG-UHFFFAOYSA-N

Formula

C26H42F8O4

SMILES

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

Molecular Weight¹

570.60

• 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°	-1852.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-2669.98	kJ/mol	Joback Calculated Property
ΔfusH°	67.54	kJ/mol	Joback Calculated Property
ΔvapH°	80.97	kJ/mol	Joback Calculated Property
log10WS	-9.69		Crippen Calculated Property
logPoct/wat	8.895		Crippen Calculated Property
McVol	406.240	ml/mol	McGowan Calculated Property
Pc	651.77	kPa	Joback Calculated Property
Inp	[2703.00; 2703.00]
Inp	2703.00		NIST
Inp	2703.00		NIST
Tboil	930.89	K	Joback Calculated Property
Tc	1162.11	K	Joback Calculated Property
Tfus	524.08	K	Joback Calculated Property
Vc	1.645	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1400.30; 1507.05]	J/mol×K	[930.89; 1162.11]
Cp,gas	1400.30	J/mol×K	930.89	Joback Calculated Property
Cp,gas	1421.52	J/mol×K	969.43	Joback Calculated Property
Cp,gas	1441.18	J/mol×K	1007.96	Joback Calculated Property
Cp,gas	1459.41	J/mol×K	1046.50	Joback Calculated Property
Cp,gas	1476.37	J/mol×K	1085.04	Joback Calculated Property
Cp,gas	1492.20	J/mol×K	1123.58	Joback Calculated Property
Cp,gas	1507.05	J/mol×K	1162.11	Joback Calculated Property

Similar Compounds

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

Sources

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

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