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

InChI

InChI=1S/C16H16F4O4/c17-15(18)16(19,20)11-24-14(22)9-8-13(21)23-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,15H,4,7,10-11H2/b9-8+

InChI Key

JUOQLNCRPQMAQB-CMDGGOBGSA-N

Formula

C16H16F4O4

SMILES

O=C(C=CC(=O)OCC(F)(F)C(F)F)OCCCc1ccccc1

Molecular Weight¹

348.29

• 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	0.7778		Relay (1.0) Calculated Property
ΔfG°	-970.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-1433.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.40	kJ/mol	Joback Calculated Property
ΔvapH°	95.14	kJ/mol	Relay (1.0) Calculated Property
IE	9.74	eV	Relay (1.0) Calculated Property
log10WS	-4.89		Relay (1.0) Calculated Property
logPoct/wat	3.162		Crippen Calculated Property
McVol	230.200	ml/mol	McGowan Calculated Property
Pc	1690.72	kPa	Joback Calculated Property
Inp	[1945.00; 1945.00]
Inp	1945.00		NIST
Inp	1945.00		NIST
Tboil	600.68	K	Relay (1.0) Calculated Property
Tc	773.01	K	Relay (1.0) Calculated Property
Tfus	326.53	K	Relay (1.0) Calculated Property
Vc	0.821	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[658.75; 724.50]	J/mol×K	[742.31; 934.08]
Cp,gas	658.75	J/mol×K	742.31	Joback Calculated Property
Cp,gas	671.79	J/mol×K	774.27	Joback Calculated Property
Cp,gas	683.94	J/mol×K	806.23	Joback Calculated Property
Cp,gas	695.25	J/mol×K	838.20	Joback Calculated Property
Cp,gas	705.75	J/mol×K	870.16	Joback Calculated Property
Cp,gas	715.48	J/mol×K	902.12	Joback Calculated Property
Cp,gas	724.50	J/mol×K	934.08	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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