- InChI
- InChI=1S/C6H13NO2Se/c1-9-6(8)5(7)3-4-10-2/h5H,3-4,7H2,1-2H3
- InChI Key
- PXBDUXYCQCQAOZ-UHFFFAOYSA-N
- Formula
- C6H13NO2Se
- SMILES
- COC(=O)C(N)CC[Se]C
- Molecular Weight1
- 210.13
- Other Names
-
- (S)-Methyl 2-amino-4-(methylselanyl)butanoate
- 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).
- 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 | 0.5119 | Relay (1.0) Calculated Property | |
| ΔfG° | -212.48 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -421.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 64.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.047 | Crippen Calculated Property | |
| Pc | 3128.15 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 490.35 | K | Relay (1.0) Calculated Property |
| Tc | 716.03 | K | Relay (1.0) Calculated Property |
| Tfus | 328.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.445 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Selenomethionine, methyl 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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