Chemical Properties of Fumaric acid, 1-phenylprop-1-yl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C16H17F3O4/c1-3-13(12-7-5-4-6-8-12)23-15(21)10-9-14(20)22-11(2)16(17,18)19/h4-11,13H,3H2,1-2H3/b10-9+

InChI Key

BVAROYDOEYVFSP-MDZDMXLPSA-N

Formula

C16H17F3O4

SMILES

CCC(OC(=O)C=CC(=O)OC(C)C(F)(F)F)c1ccccc1

Molecular Weight¹

330.30

• 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°	-777.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-1117.06	kJ/mol	Joback Calculated Property
ΔfusH°	31.79	kJ/mol	Joback Calculated Property
ΔvapH°	67.23	kJ/mol	Joback Calculated Property
log10WS	-4.43		Crippen Calculated Property
logPoct/wat	3.731		Crippen Calculated Property
McVol	228.430	ml/mol	McGowan Calculated Property
Pc	1766.90	kPa	Joback Calculated Property
Inp	[1744.00; 1744.00]
Inp	1744.00		NIST
Inp	1744.00		NIST
Tboil	742.60	K	Joback Calculated Property
Tc	943.28	K	Joback Calculated Property
Tfus	409.93	K	Joback Calculated Property
Vc	0.882	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[651.53; 720.29]	J/mol×K	[742.60; 943.28]
Cp,gas	651.53	J/mol×K	742.60	Joback Calculated Property
Cp,gas	665.27	J/mol×K	776.05	Joback Calculated Property
Cp,gas	678.03	J/mol×K	809.49	Joback Calculated Property
Cp,gas	689.87	J/mol×K	842.94	Joback Calculated Property
Cp,gas	700.82	J/mol×K	876.38	Joback Calculated Property
Cp,gas	710.95	J/mol×K	909.83	Joback Calculated Property
Cp,gas	720.29	J/mol×K	943.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 1-phenylprop-1-yl 1,1,1-trifluoroprop-2-yl ester.

Sources

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

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