- InChI
- InChI=1S/C12H25NO3Si2/c1-8-9-11(15-17(2,3)4)13-10-12(14)16-18(5,6)7/h8-9H,10H2,1-7H3/b9-8+,13-11?
- InChI Key
- LYIHLKWUJQVFRE-JDZOZJMCSA-N
- Formula
- C12H25NO3Si2
- SMILES
-
CC=CC(=NCC(=O)O[Si](C)(C)C)O[S
i](C)(C)C - Molecular Weight1
- 287.50
- CAS
- 55557-28-3
- Other Names
-
- Glycine, N-(1-oxo-2-butenyl)-N-(trimethylsilyl)-, trimethylsilyl ester
- Crotonylglycine (II), TMS
- Crotonylglycine (I), TMS
- 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 | 0.6180 | Relay (1.0) Calculated Property | |
| ΔfG° | -166.56 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -768.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 65.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.191 | Crippen Calculated Property | |
| Pc | 1245.90 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1482.00; 1546.00] |
|
|
| Inp | 1513.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Tboil | 519.22 | K | Relay (1.0) Calculated Property |
| Tc | 694.69 | K | Relay (1.0) Calculated Property |
| Tfus | 285.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.916 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Crotonylglycine, TMS.
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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