- InChI
- InChI=1S/C28H52N2O5Si2/c1-10-11-14-17-23(29-32-2)20-21-25-24(26(30-33-3)22-27(25)34-36(4,5)6)18-15-12-13-16-19-28(31)35-37(7,8)9/h12,15,20-21,24-25,27H,10-11,13-14,16-19,22H2,1-9H3/b15-12-,21-20+,29-23?,30-26?/t24-,25-,27-/m0/s1
- InChI Key
- LWEGMMOMOPWUPC-XRZKXASISA-N
- Formula
- C28H52N2O5Si2
- SMILES
-
CCCCCC(C=CC1C(O[Si](C)(C)C)CC(
=NOC)C1CC=CCCCC(=O)O[Si](C)(C) C)=NOC - Molecular Weight1
- 552.89
- 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 | 1.0703 | Relay (1.0) Calculated Property | |
| ΔfG° | 7.42 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -977.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.479 | Crippen Calculated Property | |
| Inp | 2717.00 | NIST | |
| Tboil | 674.17 | K | Relay (1.0) Calculated Property |
| Tc | 862.79 | K | Relay (1.0) Calculated Property |
| Tfus | 338.98 | K | Relay (1.0) Calculated Property |
| Vc | 1.683 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 15-Keto-PGE2, 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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