- InChI
- InChI=1S/C9H17NO3Si/c1-5-6-8(11)10-7-9(12)13-14(2,3)4/h5-6H,7H2,1-4H3,(H,10,11)/b6-5+
- InChI Key
- YHRQPMFBFLVLRD-AATRIKPKSA-N
- Formula
- C9H17NO3Si
- SMILES
- CC=CC(=O)NCC(=O)O[Si](C)(C)C
- Molecular Weight1
- 215.32
- CAS
- 55836-39-0
- Other Names
-
- N-Crotonylglycine, trimethylsilyl ester
- Trimethylsilyl (2-butenoylamino)acetate
- Glycine, N-crotonyl, mono-TMS
- Glycine, N-(1-oxo-2-buten-1-yl)-, trimethylsilyl ester
- N-crotonylglycine, tms 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 | 0.5765 | Relay (1.0) Calculated Property | |
| ΔfG° | -234.72 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -685.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.057 | Crippen Calculated Property | |
| Pc | 1923.79 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1482.00; 1482.00] |
|
|
| Inp | 1482.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Tboil | 516.51 | K | Relay (1.0) Calculated Property |
| Tc | 698.26 | K | Relay (1.0) Calculated Property |
| Tfus | 329.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.638 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Glycine, N-(1-oxo-2-butenyl)-, trimethylsilyl ester.
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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