- InChI
- InChI=1S/C28H51NO4Si2/c1-9-11-14-17-25(32-34(3,4)5)22-20-24-21-23-27(29-31-10-2)26(24)18-15-12-13-16-19-28(30)33-35(6,7)8/h12,15,20-26H,9-11,13-14,16-19H2,1-8H3/b15-12-,22-20+,29-27?/t24-,25-,26+/m1/s1
- InChI Key
- FAIKGANMUMFBOQ-TYRFPOHKSA-N
- Formula
- C28H51NO4Si2
- SMILES
-
CCCCCC(C=CC1C=CC(=NOCC)C1CC=CC
CCC(=O)O[Si](C)(C)C)O[Si](C)(C )C - Molecular Weight1
- 521.88
- 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 | 0.9572 | Relay (... Calculated Property | |
| ΔfG° | -5.89 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -981.80 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 107.90 | kJ/mol | Relay (... Calculated Property |
| IE | 8.11 | eV | Relay (... Calculated Property |
| log10WS | -5.50 | Relay (... Calculated Property | |
| logPoct/wat | 8.032 | Crippen Calculated Property | |
| Pc | -169.10 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2573.00; 2573.00] |
|
|
| Inp | 2573.00 | NIST | |
| Inp | 2573.00 | NIST | |
| Tboil | 658.79 | K | Relay (... Calculated Property |
| Tc | 838.14 | K | Relay (... Calculated Property |
| Tfus | 317.45 | K | Relay (... Calculated Property |
| Vc | 1.632 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to PGA2, EO-TMS, isomer # 1.
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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