- InChI
- InChI=1S/C16H27NO3Si2/c1-21(2,3)19-15(12-14-10-8-7-9-11-14)17-13-16(18)20-22(4,5)6/h7-11H,12-13H2,1-6H3
- InChI Key
- FMACSPBAPWCZCK-UHFFFAOYSA-N
- Formula
- C16H27NO3Si2
- SMILES
-
C[Si](C)(C)OC(=O)CN=C(Cc1ccccc
1)O[Si](C)(C)C - Molecular Weight1
- 337.56
- Other Names
-
- Phenylacetylglycine, bis-TMS
- Glycine, N-phenylacetyl, bis-TMS
- Phenylacetylglycine, di-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 | 0.6946 | Relay (1.0) Calculated Property | |
| ΔfG° | -90.98 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -692.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.857 | Crippen Calculated Property | |
| Pc | 1067.26 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1842.00; 1842.00] |
|
|
| Inp | 1842.00 | NIST | |
| Inp | 1842.00 | NIST | |
| Inp | 1842.00 | NIST | |
| Inp | 1842.00 | NIST | |
| Tboil | 593.09 | K | Relay (1.0) Calculated Property |
| Tc | 785.50 | K | Relay (1.0) Calculated Property |
| Tfus | 307.47 | K | Relay (1.0) Calculated Property |
| Vc | 1.057 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phenylacetylglycine, 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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