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

InChI

InChI=1S/C20H30F8O4/c1-2-3-10-13-31-15(29)11-8-6-4-5-7-9-12-16(30)32-14-18(23,24)20(27,28)19(25,26)17(21)22/h17H,2-14H2,1H3

InChI Key

DBCHCOYEEMOZPU-UHFFFAOYSA-N

Formula

C20H30F8O4

SMILES

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

Molecular Weight¹

486.44

• 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°	-1902.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-2546.14	kJ/mol	Joback Calculated Property
ΔfusH°	52.01	kJ/mol	Joback Calculated Property
ΔvapH°	67.61	kJ/mol	Joback Calculated Property
log10WS	-7.18		Crippen Calculated Property
logPoct/wat	6.555		Crippen Calculated Property
McVol	321.700	ml/mol	McGowan Calculated Property
Pc	895.87	kPa	Joback Calculated Property
Inp	[2159.00; 2159.00]
Inp	2159.00		NIST
Inp	2159.00		NIST
Tboil	793.61	K	Joback Calculated Property
Tc	971.78	K	Joback Calculated Property
Tfus	456.46	K	Joback Calculated Property
Vc	1.308	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1032.66; 1117.02]	J/mol×K	[793.61; 971.78]
Cp,gas	1032.66	J/mol×K	793.61	Joback Calculated Property
Cp,gas	1049.04	J/mol×K	823.30	Joback Calculated Property
Cp,gas	1064.41	J/mol×K	853.00	Joback Calculated Property
Cp,gas	1078.84	J/mol×K	882.69	Joback Calculated Property
Cp,gas	1092.38	J/mol×K	912.39	Joback Calculated Property
Cp,gas	1105.09	J/mol×K	942.08	Joback Calculated Property
Cp,gas	1117.02	J/mol×K	971.78	Joback Calculated Property

Similar Compounds

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

Sources

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

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