Chemical Properties of Fumaric acid, 2-phenethyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C18H13Cl3O4/c19-13-10-14(20)18(15(21)11-13)25-17(23)7-6-16(22)24-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2/b7-6+

InChI Key

KEKSIWZMPRYBRX-VOTSOKGWSA-N

Formula

C18H13Cl3O4

SMILES

O=C(C=CC(=O)Oc1c(Cl)cc(Cl)cc1Cl)OCCc1ccccc1

Molecular Weight¹

399.65

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.8333		Relay (1.0) Calculated Property
ΔfG°	-126.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-497.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.66	kJ/mol	Joback Calculated Property
ΔvapH°	118.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-6.37		Relay (1.0) Calculated Property
logPoct/wat	4.894		Crippen Calculated Property
McVol	264.260	ml/mol	McGowan Calculated Property
Pc	1896.95	kPa	Joback Calculated Property
Inp	[2788.00; 2788.00]
Inp	2788.00		NIST
Inp	2788.00		NIST
Tboil	646.73	K	Relay (1.0) Calculated Property
Tc	947.90	K	Relay (1.0) Calculated Property
Tfus	333.92	K	Relay (1.0) Calculated Property
Vc	0.923	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[699.44; 740.30]	J/mol×K	[948.57; 1193.72]
Cp,gas	699.44	J/mol×K	948.57	Joback Calculated Property
Cp,gas	708.82	J/mol×K	989.43	Joback Calculated Property
Cp,gas	717.10	J/mol×K	1030.29	Joback Calculated Property
Cp,gas	724.34	J/mol×K	1071.14	Joback Calculated Property
Cp,gas	730.58	J/mol×K	1112.00	Joback Calculated Property
Cp,gas	735.88	J/mol×K	1152.86	Joback Calculated Property
Cp,gas	740.30	J/mol×K	1193.72	Joback Calculated Property
η	[0.0000434; 0.0002686]	Pa×s	[612.02; 948.57]
η	0.0002686	Pa×s	612.02	Joback Calculated Property
η	0.0001744	Pa×s	668.11	Joback Calculated Property
η	0.0001211	Pa×s	724.20	Joback Calculated Property
η	0.0000887	Pa×s	780.29	Joback Calculated Property
η	0.0000677	Pa×s	836.39	Joback Calculated Property
η	0.0000534	Pa×s	892.48	Joback Calculated Property
η	0.0000434	Pa×s	948.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-phenethyl 2,4,6-trichlorophenyl ester.

Sources

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

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