- InChI
- InChI=1S/C7H16N2O3Si/c1-13(2,3)12-6(10)4-5-9-7(8)11/h4-5H2,1-3H3,(H3,8,9,11)
- InChI Key
- TXQRASDZXHWBBY-UHFFFAOYSA-N
- Formula
- C7H16N2O3Si
- SMILES
- C[Si](C)(C)OC(=O)CCNC(N)=O
- Molecular Weight1
- 204.30
- 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 | 0.7168 | Relay (1.0) Calculated Property | |
| ΔfG° | -218.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -796.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.423 | Crippen Calculated Property | |
| Pc | 2013.20 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1209.00 | NIST | |
| Tboil | 525.80 | K | Relay (1.0) Calculated Property |
| Tc | 718.38 | K | Relay (1.0) Calculated Property |
| Tfus | 345.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.609 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-Carbamyl-3-alanine, mono-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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