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

InChI

InChI=1S/C17H14F8O4/c18-14(19)16(22,23)17(24,25)15(20,21)10-29-13(27)7-6-12(26)28-9-8-11-4-2-1-3-5-11/h1-7,14H,8-10H2/b7-6+

InChI Key

MXXYHRPLRPIJBI-VOTSOKGWSA-N

Formula

C17H14F8O4

SMILES

O=C(C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCCc1ccccc1

Molecular Weight¹

434.28

• 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	0.8117		Relay (... Calculated Property
ΔfG°	-1735.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-2238.00	kJ/mol	Relay (... Calculated Property
ΔfusH°	38.48	kJ/mol	Joback Calculated Property
ΔvapH°	97.53	kJ/mol	Relay (... Calculated Property
IE	9.62	eV	Relay (... Calculated Property
log10WS	-6.04		Relay (... Calculated Property
logPoct/wat	4.043		Crippen Calculated Property
McVol	251.370	ml/mol	McGowan Calculated Property
Pc	1402.74	kPa	Joback Calculated Property
Inp	[1929.00; 1929.00]
Inp	1929.00		NIST
Inp	1929.00		NIST
Tboil	604.42	K	Relay (... Calculated Property
Tc	766.25	K	Relay (... Calculated Property
Tfus	315.16	K	Relay (... Calculated Property
Vc	0.908	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[748.58; 808.85]	J/mol×K	[755.81; 939.19]
Cp,gas	748.58	J/mol×K	755.81	Joback Calculated Property
Cp,gas	760.60	J/mol×K	786.37	Joback Calculated Property
Cp,gas	771.74	J/mol×K	816.94	Joback Calculated Property
Cp,gas	782.07	J/mol×K	847.50	Joback Calculated Property
Cp,gas	791.65	J/mol×K	878.06	Joback Calculated Property
Cp,gas	800.55	J/mol×K	908.62	Joback Calculated Property
Cp,gas	808.85	J/mol×K	939.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-phenethyl 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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