- InChI
- InChI=1S/C30H61NO5Si3/c1-12-13-16-19-25(34-37(3,4)5)22-23-27-26(28(31-33-2)24-29(27)35-38(6,7)8)20-17-14-15-18-21-30(32)36-39(9,10)11/h22-23,25-27,29H,12-21,24H2,1-11H3/b23-22+,31-28?/t25-,26+,27+,29+/m1/s1
- InChI Key
- NYKPCVVFAUFKOP-RBSDKBGESA-N
- Formula
- C30H61NO5Si3
- SMILES
-
CCCCCC(C=CC1C(O[Si](C)(C)C)CC(
=NOC)C1CCCCCCC(=O)O[Si](C)(C)C )O[Si](C)(C)C - Molecular Weight1
- 600.07
- 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 | 1.1020 | Relay (1.0) Calculated Property | |
| ΔfG° | -148.88 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1335.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.920 | Crippen Calculated Property | |
| Pc | -529.81 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2759.00; 2759.00] |
|
|
| Inp | 2759.00 | NIST | |
| Inp | 2759.00 | NIST | |
| Tboil | 678.98 | K | Relay (1.0) Calculated Property |
| Tc | 858.93 | K | Relay (1.0) Calculated Property |
| Tfus | 315.57 | K | Relay (1.0) Calculated Property |
| Vc | 1.941 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to PGE1, 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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