![2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-phenyl-3-[(trimethylsilyl)oxy]-](/cid/123-693-6/2H-1-4-Benzodiazepin-2-one-7-chloro-1-3-dihydro-1-methyl-5-phenyl-3-trimethylsilyl-oxy.png "2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-phenyl-3-[(trimethylsilyl)oxy]-")
- InChI
- InChI=1S/C19H21ClN2O2Si/c1-22-16-11-10-14(20)12-15(16)17(13-8-6-5-7-9-13)21-18(19(22)23)24-25(2,3)4/h5-12,18H,1-4H3
- InChI Key
- QQCHKHBRXNQGTF-UHFFFAOYSA-N
- Formula
- C19H21ClN2O2Si
- SMILES
-
CN1C(=O)C(O[Si](C)(C)C)N=C(c2c
cccc2)c2cc(Cl)ccc21 - Molecular Weight1
- 372.92
- CAS
- 35147-95-6
- Other Names
-
- 7-Chloro-1-methyl-5-phenyl-3-[(trimethylsilyl)oxy]-1,3-dihydro-2H-1,4-benzodiazepin-2-one
- Temazepam, TMS
- Temazepam, trimethylsilyl ether
- 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 | 0.6575 | Relay (1.0) Calculated Property | |
| ΔfG° | 126.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -249.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.331 | Crippen Calculated Property | |
| Pc | 1191.53 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2646.90; 2646.90] |
|
|
| Inp | 2646.90 | NIST | |
| Inp | 2646.90 | NIST | |
| Tboil | 669.42 | K | Relay (1.0) Calculated Property |
| Tc | 979.68 | K | Relay (1.0) Calculated Property |
| Tfus | 397.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.008 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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