Chemical Properties of Fumaric acid, hexyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C15H18F8O4/c1-2-3-4-5-8-26-10(24)6-7-11(25)27-9-13(18,19)15(22,23)14(20,21)12(16)17/h6-7,12H,2-5,8-9H2,1H3/b7-6+

InChI Key

ZNGQKDGFMRTACP-VOTSOKGWSA-N

Formula

C15H18F8O4

SMILES

CCCCCCOC(=O)C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

414.29

• 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	0.8409		Relay (... Calculated Property
ΔfG°	-1864.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-2443.35	kJ/mol	Relay (... Calculated Property
ΔfusH°	39.26	kJ/mol	Joback Calculated Property
ΔvapH°	83.16	kJ/mol	Relay (... Calculated Property
IE	10.51	eV	Relay (... Calculated Property
log10WS	-6.28		Relay (... Calculated Property
logPoct/wat	4.380		Crippen Calculated Property
McVol	246.950	ml/mol	McGowan Calculated Property
Pc	1267.35	kPa	Joback Calculated Property
Inp	[1674.00; 1674.00]
Inp	1674.00		NIST
Inp	1674.00		NIST
Tboil	546.80	K	Relay (... Calculated Property
Tc	683.16	K	Relay (... Calculated Property
Tfus	292.82	K	Relay (... Calculated Property
Vc	0.913	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[725.64; 793.62]	J/mol×K	[683.37; 845.85]
Cp,gas	725.64	J/mol×K	683.37	Joback Calculated Property
Cp,gas	738.76	J/mol×K	710.45	Joback Calculated Property
Cp,gas	751.11	J/mol×K	737.53	Joback Calculated Property
Cp,gas	762.74	J/mol×K	764.61	Joback Calculated Property
Cp,gas	773.67	J/mol×K	791.69	Joback Calculated Property
Cp,gas	783.95	J/mol×K	818.77	Joback Calculated Property
Cp,gas	793.62	J/mol×K	845.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, hexyl 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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