- InChI
- InChI=1S/C31H58OSi/c1-21(2)22(3)10-11-23(4)27-14-15-28-26-13-12-24-20-25(32-33(7,8)9)16-18-30(24,5)29(26)17-19-31(27,28)6/h21-29H,10-20H2,1-9H3/t22-,23+,24+,25-,26?,27+,28?,29?,30-,31+/m1/s1
- InChI Key
- NJILTSJLEGHFOM-LIPHQYNYSA-N
- Formula
- C31H58OSi
- SMILES
-
CC(C)C(C)CCC(C)C1CCC2C3CCC4CC(
O[Si](C)(C)C)CCC4(C)C3CCC12C - Molecular Weight1
- 474.88
- 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 | 0.6597 | Relay (... Calculated Property | |
| ΔfG° | 175.72 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -717.18 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 119.63 | kJ/mol | Relay (... Calculated Property |
| IE | 9.10 | eV | Relay (... Calculated Property |
| log10WS | -8.67 | Relay (... Calculated Property | |
| logPoct/wat | 9.574 | Crippen Calculated Property | |
| Pc | 17.26 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3107.00; 3107.00] |
|
|
| Inp | 3107.00 | NIST | |
| Inp | 3107.00 | NIST | |
| Tboil | 700.16 | K | Relay (... Calculated Property |
| Tc | 957.00 | K | Relay (... Calculated Property |
| Tfus | 377.05 | K | Relay (... Calculated Property |
| Vc | 1.595 | m3/kmol | Relay (... 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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