- InChI
- InChI=1S/C34H65NO5Si3/c1-23(14-17-31(36)37-4)26-15-16-27-32-28(22-30(34(26,27)3)39-42(8,9)10)33(2)19-18-25(35-40-43(11,12)13)20-24(33)21-29(32)38-41(5,6)7/h23-24,26-30,32H,14-22H2,1-13H3/b35-25-/t23?,24-,26?,27?,28?,29+,30-,32?,33?,34?/m1/s1
- InChI Key
- ISZZMGPQEMUNRA-NPIPRMCTSA-N
- Formula
- C34H65NO5Si3
- SMILES
-
COC(=O)CCC(C)C1CCC2C3C(O[Si](C
)(C)C)CC4CC(=NO[Si](C)(C)C)CCC 4(C)C3CC(O[Si](C)(C)C)C12C - Molecular Weight1
- 652.14
- 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.
- 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 | 0.9290 | Relay (1.0) Calculated Property | |
| ΔfG° | -84.53 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1282.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 129.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.102 | Crippen Calculated Property | |
| Inp | 3336.00 | NIST | |
| Tboil | 739.78 | K | Relay (1.0) Calculated Property |
| Tc | 1018.24 | K | Relay (1.0) Calculated Property |
| Tfus | 373.57 | K | Relay (1.0) Calculated Property |
| Vc | 2.038 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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