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

InChI

InChI=1S/C19H28F8O4/c1-2-3-12-30-14(28)10-8-6-4-5-7-9-11-15(29)31-13-17(22,23)19(26,27)18(24,25)16(20)21/h16H,2-13H2,1H3

InChI Key

JMPAAKLQJWIQEO-UHFFFAOYSA-N

Formula

C19H28F8O4

SMILES

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

Molecular Weight¹

472.41

• 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°	-1911.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-2525.50	kJ/mol	Joback Calculated Property
ΔfusH°	49.41	kJ/mol	Joback Calculated Property
ΔvapH°	65.39	kJ/mol	Joback Calculated Property
log10WS	-6.76		Crippen Calculated Property
logPoct/wat	6.165		Crippen Calculated Property
McVol	307.610	ml/mol	McGowan Calculated Property
Pc	949.67	kPa	Joback Calculated Property
Inp	[2073.00; 2073.00]
Inp	2073.00		NIST
Inp	2073.00		NIST
Tboil	770.73	K	Joback Calculated Property
Tc	943.64	K	Joback Calculated Property
Tfus	445.19	K	Joback Calculated Property
Vc	1.252	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[973.89; 1055.44]	J/mol×K	[770.73; 943.64]
Cp,gas	973.89	J/mol×K	770.73	Joback Calculated Property
Cp,gas	989.67	J/mol×K	799.55	Joback Calculated Property
Cp,gas	1004.51	J/mol×K	828.37	Joback Calculated Property
Cp,gas	1018.45	J/mol×K	857.19	Joback Calculated Property
Cp,gas	1031.56	J/mol×K	886.00	Joback Calculated Property
Cp,gas	1043.87	J/mol×K	914.82	Joback Calculated Property
Cp,gas	1055.44	J/mol×K	943.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, butyl 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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