- InChI
- InChI=1S/C14H20N2OSSi/c1-16-13(17-19(2,3)4)12(15-14(16)18)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,15,18)
- InChI Key
- XAGCENMTJPGXCP-UHFFFAOYSA-N
- Formula
- C14H20N2OSSi
- SMILES
-
Cn1c(O[Si](C)(C)C)c(Cc2ccccc2)
[nH]c1=S - Molecular Weight1
- 292.47
- 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 | 0.6160 | Relay (1.0) Calculated Property | |
| ΔfG° | 218.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -157.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.405 | Crippen Calculated Property | |
| Pc | 1649.75 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2005.00 | NIST | |
| Tboil | 636.09 | K | Relay (1.0) Calculated Property |
| Tc | 887.12 | K | Relay (1.0) Calculated Property |
| Tfus | 397.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.849 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phenylalanine, MTH-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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