Chemical Properties of Benzene, 1,1',1''-(1-chloro-1-ethenyl-2-ylidene)tris[4-methoxy-

InChI

InChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3

InChI Key

BFPSDSIWYFKGBC-UHFFFAOYSA-N

Formula

C23H21ClO3

SMILES

COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

Molecular Weight¹

380.87

Other Names

• 1,1',1''-(1-Chloro-1-ethenyl-2-ylidene)-tris(4-methoxybenzene)
• Anisene
• Benzene, 1,1',1''-(1-chloro-1-ethenyl-2-ylidene)tris(4-methoxy)-
• CTA
• Chloortrianisestrol
• Chlorestrolo
• Chlorotrianisene
• Chlorotrianisine
• Chlorotrianizen
• Chlorotris(p-methoxyphenyl)ethylene
• Chlorotrisin
• Chlortrianisen
• Chlortrianisestrol
• Chlortrianizen
• Clorestrolo
• Clorotrisin
• Ethylene, chlorotris(p-methoxyphenyl)-
• Hormonisene
• Khlortrianizen
• Merbentul
• Metace
• NSC-10108
• Rianil
• Tace
• Tace (pharmaceutical)
• Tace-fn
• Tri-p-anisylchloroethylene
• Trianisestrol
• Tris(p-methoxyphenyl)chloroethylene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[375.20; 873.87]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.01000e+00
Coefficient B			1.61066e+00
Coefficient C			-8.95680e-04
Coefficient D			1.59900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	375.20	J/mol×K	273.00	Calculated Property
Cp,gas	463.78	J/mol×K	353.78	Calculated Property
Cp,gas	542.89	J/mol×K	434.56	Calculated Property
Cp,gas	613.04	J/mol×K	515.33	Calculated Property
Cp,gas	674.71	J/mol×K	596.11	Calculated Property
Cp,gas	728.44	J/mol×K	676.89	Calculated Property
Cp,gas	774.71	J/mol×K	757.67	Calculated Property
Cp,gas	814.03	J/mol×K	838.44	Calculated Property
Cp,gas	846.92	J/mol×K	919.22	Calculated Property
Cp,gas	873.87	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1',1''-(1-chloro-1-ethenyl-2-ylidene)tris[4-methoxy-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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