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

InChI

InChI=1S/C19H17FO4/c1-2-16(14-8-4-3-5-9-14)23-18(21)12-13-19(22)24-17-11-7-6-10-15(17)20/h3-13,16H,2H2,1H3/b13-12+

InChI Key

SMRYFGPFDCSYMG-OUKQBFOZSA-N

Formula

C19H17FO4

SMILES

CCC(OC(=O)C=CC(=O)Oc1ccccc1F)c1ccccc1

Molecular Weight¹

328.33

• 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	0.7362		Relay (... Calculated Property
ΔfG°	-260.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-688.59	kJ/mol	Relay (... Calculated Property
ΔfusH°	37.99	kJ/mol	Joback Calculated Property
ΔvapH°	104.18	kJ/mol	Relay (... Calculated Property
IE	8.86	eV	Relay (... Calculated Property
log10WS	-4.73		Relay (... Calculated Property
logPoct/wat	3.982		Crippen Calculated Property
McVol	243.400	ml/mol	McGowan Calculated Property
Pc	1910.24	kPa	Joback Calculated Property
Inp	[2344.00; 2344.00]
Inp	2344.00		NIST
Inp	2344.00		NIST
Tboil	621.10	K	Relay (... Calculated Property
Tc	878.88	K	Relay (... Calculated Property
Tfus	347.84	K	Relay (... Calculated Property
Vc	0.850	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[705.45; 768.32]	J/mol×K	[848.03; 1076.26]
Cp,gas	705.45	J/mol×K	848.03	Joback Calculated Property
Cp,gas	718.70	J/mol×K	886.07	Joback Calculated Property
Cp,gas	730.77	J/mol×K	924.11	Joback Calculated Property
Cp,gas	741.71	J/mol×K	962.15	Joback Calculated Property
Cp,gas	751.58	J/mol×K	1000.18	Joback Calculated Property
Cp,gas	760.43	J/mol×K	1038.22	Joback Calculated Property
Cp,gas	768.32	J/mol×K	1076.26	Joback Calculated Property

Similar Compounds

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

Sources

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

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