- InChI
- InChI=1S/C27H49NO4Si2/c1-9-10-13-16-24(31-33(3,4)5)21-19-23-20-22-26(28-30-2)25(23)17-14-11-12-15-18-27(29)32-34(6,7)8/h11,14,19-25H,9-10,12-13,15-18H2,1-8H3/b14-11-,21-19+,28-26?/t23-,24-,25+/m1/s1
- InChI Key
- RLZAGYMPBYGRFW-JMCNHHLISA-N
- Formula
- C27H49NO4Si2
- SMILES
-
CCCCCC(C=CC1C=CC(=NOC)C1CC=CCC
CC(=O)O[Si](C)(C)C)O[Si](C)(C) C - Molecular Weight1
- 507.85
- 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 | 0.9224 | Relay (... Calculated Property | |
| ΔfG° | 14.06 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -953.38 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 107.56 | kJ/mol | Relay (... Calculated Property |
| IE | 8.23 | eV | Relay (... Calculated Property |
| log10WS | -5.18 | Relay (... Calculated Property | |
| logPoct/wat | 7.642 | Crippen Calculated Property | |
| Pc | -146.57 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2589.00 | NIST | |
| Tboil | 648.05 | K | Relay (... Calculated Property |
| Tc | 833.36 | K | Relay (... Calculated Property |
| Tfus | 326.30 | K | Relay (... Calculated Property |
| Vc | 1.574 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to PGA2, MO-TMS, isomer # 2.
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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