Chemical Properties of Fumaric acid, 1-phenylprop-1-yl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C16H16F4O4/c1-2-12(11-6-4-3-5-7-11)24-14(22)9-8-13(21)23-10-16(19,20)15(17)18/h3-9,12,15H,2,10H2,1H3/b9-8+

InChI Key

ADBLNBOZOCGPEU-CMDGGOBGSA-N

Formula

C16H16F4O4

SMILES

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

Molecular Weight¹

348.29

• 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°	-972.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1313.17	kJ/mol	Joback Calculated Property
ΔfusH°	34.87	kJ/mol	Joback Calculated Property
ΔvapH°	66.42	kJ/mol	Joback Calculated Property
log10WS	-4.29		Crippen Calculated Property
logPoct/wat	3.681		Crippen Calculated Property
McVol	230.200	ml/mol	McGowan Calculated Property
Pc	1701.90	kPa	Joback Calculated Property
Inp	[1829.00; 1829.00]
Inp	1829.00		NIST
Inp	1829.00		NIST
Tboil	741.87	K	Joback Calculated Property
Tc	936.15	K	Joback Calculated Property
Tfus	410.52	K	Joback Calculated Property
Vc	0.900	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[659.31; 725.70]	J/mol×K	[741.87; 936.15]
Cp,gas	659.31	J/mol×K	741.87	Joback Calculated Property
Cp,gas	672.53	J/mol×K	774.25	Joback Calculated Property
Cp,gas	684.84	J/mol×K	806.63	Joback Calculated Property
Cp,gas	696.26	J/mol×K	839.01	Joback Calculated Property
Cp,gas	706.85	J/mol×K	871.39	Joback Calculated Property
Cp,gas	716.65	J/mol×K	903.77	Joback Calculated Property
Cp,gas	725.70	J/mol×K	936.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 1-phenylprop-1-yl 2,2,3,3-tetrafluoropropyl ester.

Sources

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

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