- InChI
- InChI=1S/C13H27NO3Si2/c1-11(2)9-12(16-18(3,4)5)14-10-13(15)17-19(6,7)8/h9H,10H2,1-8H3
- InChI Key
- QFGAKQFBTMQVCA-UHFFFAOYSA-N
- Formula
- C13H27NO3Si2
- SMILES
-
CC(C)=CC(=NCC(=O)O[Si](C)(C)C)
O[Si](C)(C)C - Molecular Weight1
- 301.53
- Other Names
-
- Glycine, N-(3-methyl-2-butenoyl), bis-TMS
- 3-Methylcrotonyl glycine, 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 | 0.6429 | Relay (1.0) Calculated Property | |
| ΔfG° | -169.12 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -802.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 66.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.581 | Crippen Calculated Property | |
| Pc | 1169.93 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1560.00; 1588.00] |
|
|
| Inp | 1560.00 | NIST | |
| Inp | 1578.00 | NIST | |
| Inp | 1572.00 | NIST | |
| Inp | 1584.00 | NIST | |
| Inp | 1563.00 | NIST | |
| Inp | 1588.00 | NIST | |
| Inp | 1588.00 | NIST | |
| Tboil | 529.47 | K | Relay (1.0) Calculated Property |
| Tc | 705.42 | K | Relay (1.0) Calculated Property |
| Tfus | 300.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.982 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylcrotonylglycine, di-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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