- InChI
- InChI=1S/C12H27NO2Si/c1-12(2,3)16(4,5)15-11-9-13-8-6-7-10(11)14/h10-11,13-14H,6-9H2,1-5H3/t10-,11-/m1/s1
- InChI Key
- MPCFGLQLWKZQPB-GHMZBOCLSA-N
- Formula
- C12H27NO2Si
- SMILES
- CC(C)(C)[Si](C)(C)OC1CNCCCC1O
- Molecular Weight1
- 245.43
- 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 | 0.5985 | Relay (1.0) Calculated Property | |
| ΔfG° | -74.51 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -591.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.121 | Crippen Calculated Property | |
| Pc | 1802.40 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1621.00 | NIST | |
| Tboil | 585.44 | K | Relay (1.0) Calculated Property |
| Tc | 774.23 | K | Relay (1.0) Calculated Property |
| Tfus | 379.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.764 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (3S,4S)-3-tert-Butyldimethylsilyloxy-4-hydroxyazepane.
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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