- InChI
- InChI=1S/C30H61NO5Si3/c1-12-13-16-19-25(31-33-2)22-23-27-26(20-17-14-15-18-21-30(32)36-39(9,10)11)28(34-37(3,4)5)24-29(27)35-38(6,7)8/h14,17,26-29H,12-13,15-16,18-24H2,1-11H3/b17-14-,31-25?/t26-,27-,28+,29-/m0/s1
- InChI Key
- CGDBJQGJWDFROJ-YQVMCYEWSA-N
- Formula
- C30H61NO5Si3
- SMILES
-
CCCCCC(CCC1C(O[Si](C)(C)C)CC(O
[Si](C)(C)C)C1CC=CCCCC(=O)O[Si ](C)(C)C)=NOC - 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.
- 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 | 1.0875 | Relay (1.0) Calculated Property | |
| ΔfG° | -141.58 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1353.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.920 | Crippen Calculated Property | |
| Inp | [2712.00; 2712.00] |
|
|
| Inp | 2712.00 | NIST | |
| Inp | 2712.00 | NIST | |
| Tboil | 690.89 | K | Relay (1.0) Calculated Property |
| Tc | 868.58 | K | Relay (1.0) Calculated Property |
| Tfus | 308.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.928 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 13,14-Dihydro-15-keto-PGF2A, 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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