- InChI
- InChI=1S/C11H22N2OSSi/c1-7-8(2)9-10(14-16(4,5)6)13(3)11(15)12-9/h8H,7H2,1-6H3,(H,12,15)
- InChI Key
- UAJZXNNNFMUPRU-UHFFFAOYSA-N
- Formula
- C11H22N2OSSi
- SMILES
-
CCC(C)c1[nH]c(=S)n(C)c1O[Si](C
)(C)C - Molecular Weight1
- 258.46
- 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 | 0.5777 | Relay (1.0) Calculated Property | |
| ΔfG° | 95.27 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -368.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.328 | Crippen Calculated Property | |
| Pc | 1673.12 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1649.00 | NIST | |
| Tboil | 571.26 | K | Relay (1.0) Calculated Property |
| Tc | 788.42 | K | Relay (1.0) Calculated Property |
| Tfus | 377.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.785 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isoleucine, 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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