Chemical Properties of Fumaric acid, 2-phenethyl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C15H14F4O4/c16-14(17)15(18,19)10-23-13(21)7-6-12(20)22-9-8-11-4-2-1-3-5-11/h1-7,14H,8-10H2/b7-6+

InChI Key

LZKLBSSFNBWEQO-VOTSOKGWSA-N

Formula

C15H14F4O4

SMILES

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

Molecular Weight¹

334.26

• 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°	-978.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-1287.25	kJ/mol	Joback Calculated Property
ΔfusH°	35.81	kJ/mol	Joback Calculated Property
ΔvapH°	64.58	kJ/mol	Joback Calculated Property
log10WS	-3.41		Crippen Calculated Property
logPoct/wat	2.772		Crippen Calculated Property
McVol	216.110	ml/mol	McGowan Calculated Property
Pc	1832.54	kPa	Joback Calculated Property
Inp	[1831.00; 1831.00]
Inp	1831.00		NIST
Inp	1831.00		NIST
Tboil	719.43	K	Joback Calculated Property
Tc	912.15	K	Joback Calculated Property
Tfus	414.25	K	Joback Calculated Property
Vc	0.851	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[605.13; 668.87]	J/mol×K	[719.43; 912.15]
Cp,gas	605.13	J/mol×K	719.43	Joback Calculated Property
Cp,gas	617.80	J/mol×K	751.55	Joback Calculated Property
Cp,gas	629.60	J/mol×K	783.67	Joback Calculated Property
Cp,gas	640.56	J/mol×K	815.79	Joback Calculated Property
Cp,gas	650.74	J/mol×K	847.91	Joback Calculated Property
Cp,gas	660.16	J/mol×K	880.03	Joback Calculated Property
Cp,gas	668.87	J/mol×K	912.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-phenethyl 2,2,3,3-tetrafluoropropyl ester.

Sources

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

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