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

InChI

InChI=1S/C23H36F8O4/c1-2-3-4-5-10-13-16-34-18(32)14-11-8-6-7-9-12-15-19(33)35-17-21(26,27)23(30,31)22(28,29)20(24)25/h20H,2-17H2,1H3

InChI Key

HATGGUOIUZFPFE-UHFFFAOYSA-N

Formula

C23H36F8O4

SMILES

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

Molecular Weight¹

528.52

• 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°	-1877.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-2608.06	kJ/mol	Joback Calculated Property
ΔfusH°	59.77	kJ/mol	Joback Calculated Property
ΔvapH°	74.29	kJ/mol	Joback Calculated Property
log10WS	-8.43		Crippen Calculated Property
logPoct/wat	7.725		Crippen Calculated Property
McVol	363.970	ml/mol	McGowan Calculated Property
Pc	759.32	kPa	Joback Calculated Property
Inp	[2433.00; 2433.00]
Inp	2433.00		NIST
Inp	2433.00		NIST
Tboil	862.25	K	Joback Calculated Property
Tc	1061.81	K	Joback Calculated Property
Tfus	490.27	K	Joback Calculated Property
Vc	1.476	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1213.57; 1307.67]	J/mol×K	[862.25; 1061.81]
Cp,gas	1213.57	J/mol×K	862.25	Joback Calculated Property
Cp,gas	1232.04	J/mol×K	895.51	Joback Calculated Property
Cp,gas	1249.28	J/mol×K	928.77	Joback Calculated Property
Cp,gas	1265.38	J/mol×K	962.03	Joback Calculated Property
Cp,gas	1280.42	J/mol×K	995.29	Joback Calculated Property
Cp,gas	1294.48	J/mol×K	1028.55	Joback Calculated Property
Cp,gas	1307.67	J/mol×K	1061.81	Joback Calculated Property

Similar Compounds

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

Sources

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

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