- InChI
- InChI=1S/C18H34Cl2N2OSi2/c1-18(2,3)21-12-16(23-25(7,8)9)13-10-14(19)17(15(20)11-13)22-24(4,5)6/h10-11,16,21-22H,12H2,1-9H3
- InChI Key
- FYCVEIUGMMTJNL-UHFFFAOYSA-N
- Formula
- C18H34Cl2N2OSi2
- SMILES
-
CC(C)(C)NCC(O[Si](C)(C)C)c1cc(
Cl)c(N[Si](C)(C)C)c(Cl)c1 - Molecular Weight1
- 421.55
- CAS
- 185378-25-0
- Other Names
-
- Clenbuterol, bis(trimethylsilyl) derivative
- tert-Butylpyrrol2-pyrrol3,5-dichloro-4-[(trimethylsilyl)amino]phenylmorpho-2-[(trimethylsilyl)oxy]ethylmorphoamine
- Clenbuterol bis-N,O-TMS
- Clenbuterol, bis-TMS
- Clenbuterol, 2tms derivative
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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.
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- 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 | 0.7313 | Relay (... Calculated Property | |
| ΔfG° | 105.53 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -518.85 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 86.64 | kJ/mol | Relay (... Calculated Property |
| IE | 7.99 | eV | Relay (... Calculated Property |
| log10WS | -4.27 | Relay (... Calculated Property | |
| logPoct/wat | 6.521 | Crippen Calculated Property | |
| Pc | 812.17 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2094.00; 2094.00] |
|
|
| Inp | 2094.00 | NIST | |
| Inp | 2094.00 | NIST | |
| Tboil | 583.48 | K | Relay (... Calculated Property |
| Tc | 857.82 | K | Relay (... Calculated Property |
| Tfus | 358.76 | K | Relay (... Calculated Property |
| Vc | 1.250 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Clenbuterol, N,O-bis(trimethylsilyl) deriv..
Sources
- 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
- NIST Webbook
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