- 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)c
2ccc(OC)cc2)cc1 - Molecular Weight1
- 380.86
- CAS
- 569-57-3
- Other Names
-
- Ethylene, chlorotris(p-methoxyphenyl)-
- Anisene
- Chlorotrianisine
- Chlorotris(p-methoxyphenyl)ethylene
- Chlortrianizen
- Clorestrolo
- Clorotrisin
- Hormonisene
- Khlortrianizen
- Merbentul
- Metace
- NSC-10108
- Rianil
- Tace
- Tri-p-anisylchloroethylene
- Tris(p-methoxyphenyl)chloroethylene
- Chloortrianisestrol
- Chlortrianisestrol
- Chlorestrolo
- 1,1',1''-(1-Chloro-1-ethenyl-2-ylidene)-tris(4-methoxybenzene)
- Chlorotrianizen
- Chlorotrisin
- Chlortrianisen
- CTA
- Tace-fn
- Trianisestrol
- Benzene, 1,1',1''-(1-chloro-1-ethenyl-2-ylidene)tris(4-methoxy)-
- Tace (pharmaceutical)
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8330 | Relay (1.0) Calculated Property | |
| ΔfG° | 187.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -162.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.868 | Crippen Calculated Property | |
| McVol | 289.200 | ml/mol | McGowan Calculated Property |
| Pc | 1594.89 | kPa | Joback Calculated Property |
| Tboil | 728.14 | K | Relay (1.0) Calculated Property |
| Tc | 1015.10 | K | Relay (1.0) Calculated Property |
| Tfus | 423.97 | K | Relay (1.0) Calculated Property |
| Vc | 1.027 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [850.57; 915.18] | J/mol×K | [929.23; 1180.24] | 
|
| Cp,gas | 850.57 | J/mol×K | 929.23 | Joback Calculated Property |
| Cp,gas | 864.87 | J/mol×K | 971.06 | Joback Calculated Property |
| Cp,gas | 877.66 | J/mol×K | 1012.90 | Joback Calculated Property |
| Cp,gas | 889.02 | J/mol×K | 1054.73 | Joback Calculated Property |
| Cp,gas | 899.01 | J/mol×K | 1096.57 | Joback Calculated Property |
| Cp,gas | 907.71 | J/mol×K | 1138.40 | Joback Calculated Property |
| Cp,gas | 915.18 | J/mol×K | 1180.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chlorotrianisene.
Sources
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