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

InChI

InChI=1S/C19H28F8O4/c1-13(2)11-30-14(28)9-7-5-3-4-6-8-10-15(29)31-12-17(22,23)19(26,27)18(24,25)16(20)21/h13,16H,3-12H2,1-2H3

InChI Key

FCZXNMURSXVHFT-UHFFFAOYSA-N

Formula

C19H28F8O4

SMILES

CC(C)COC(=O)CCCCCCCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

472.41

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9951		Relay (... Calculated Property
ΔfG°	-1913.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-2623.37	kJ/mol	Relay (... Calculated Property
ΔfusH°	45.89	kJ/mol	Joback Calculated Property
ΔvapH°	93.37	kJ/mol	Relay (... Calculated Property
IE	9.95	eV	Relay (... Calculated Property
log10WS	-6.67		Relay (... Calculated Property
logPoct/wat	6.021		Crippen Calculated Property
McVol	307.610	ml/mol	McGowan Calculated Property
Pc	954.37	kPa	Joback Calculated Property
Inp	[2032.00; 2032.00]
Inp	2032.00		NIST
Inp	2032.00		NIST
Tboil	592.86	K	Relay (... Calculated Property
Tc	718.04	K	Relay (... Calculated Property
Tfus	305.15	K	Relay (... Calculated Property
Vc	1.174	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[974.39; 1055.93]	J/mol×K	[770.29; 943.28]
Cp,gas	974.39	J/mol×K	770.29	Joback Calculated Property
Cp,gas	990.19	J/mol×K	799.12	Joback Calculated Property
Cp,gas	1005.04	J/mol×K	827.95	Joback Calculated Property
Cp,gas	1018.99	J/mol×K	856.78	Joback Calculated Property
Cp,gas	1032.09	J/mol×K	885.61	Joback Calculated Property
Cp,gas	1044.38	J/mol×K	914.45	Joback Calculated Property
Cp,gas	1055.93	J/mol×K	943.28	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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