- InChI
- InChI=1S/C28H51NO4Si2/c1-10-11-16-22-28(2,33-35(7,8)9)23-21-24-19-20-26(29-31-3)25(24)17-14-12-13-15-18-27(30)32-34(4,5)6/h12,14,19-21,23-25H,10-11,13,15-18,22H2,1-9H3/b14-12-,23-21+,29-26+/t24-,25-,28+/m0/s1
- InChI Key
- BHEWARGZXKXHEQ-RQIMKRAQSA-N
- Formula
- C28H51NO4Si2
- SMILES
-
CCCCCC(C)(C=CC1C=CC(=NOC)C1CC=
CCCCC(=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.
- 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 | 0.9350 | Relay (1.0) Calculated Property | |
| ΔfG° | 8.59 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -980.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 107.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.032 | Crippen Calculated Property | |
| Inp | [2604.00; 2604.00] |
|
|
| Inp | 2604.00 | NIST | |
| Inp | 2604.00 | NIST | |
| Tboil | 651.09 | K | Relay (1.0) Calculated Property |
| Tc | 837.53 | K | Relay (1.0) Calculated Property |
| Tfus | 323.41 | K | Relay (1.0) Calculated Property |
| Vc | 1.635 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 15(S)-15-Methyl-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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