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

InChI

InChI=1S/C19H17FO4/c20-16-10-4-5-11-17(16)24-19(22)13-12-18(21)23-14-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-13H,6,9,14H2/b13-12+

InChI Key

JGNFRWZJMDLAQS-OUKQBFOZSA-N

Formula

C19H17FO4

SMILES

O=C(C=CC(=O)Oc1ccccc1F)OCCCc1ccccc1

Molecular Weight¹

328.33

• 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°	-258.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-542.39	kJ/mol	Joback Calculated Property
ΔfusH°	41.52	kJ/mol	Joback Calculated Property
ΔvapH°	80.55	kJ/mol	Joback Calculated Property
log10WS	-4.54		Crippen Calculated Property
logPoct/wat	3.463		Crippen Calculated Property
McVol	243.400	ml/mol	McGowan Calculated Property
Pc	1896.95	kPa	Joback Calculated Property
Inp	[2476.00; 2476.00]
Inp	2476.00		NIST
Inp	2476.00		NIST
Tboil	848.47	K	Joback Calculated Property
Tc	1073.51	K	Joback Calculated Property
Tfus	509.08	K	Joback Calculated Property
Vc	0.929	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[704.88; 767.41]	J/mol×K	[848.47; 1073.51]
Cp,gas	704.88	J/mol×K	848.47	Joback Calculated Property
Cp,gas	717.96	J/mol×K	885.98	Joback Calculated Property
Cp,gas	729.92	J/mol×K	923.48	Joback Calculated Property
Cp,gas	740.78	J/mol×K	960.99	Joback Calculated Property
Cp,gas	750.62	J/mol×K	998.50	Joback Calculated Property
Cp,gas	759.48	J/mol×K	1036.01	Joback Calculated Property
Cp,gas	767.41	J/mol×K	1073.51	Joback Calculated Property

Similar Compounds

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

Sources

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

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