- 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/h14,17,25-27,29H,12-13,15-16,18-24H2,1-11H3/b17-14-,31-28?/t25-,26+,27+,29+/m1/s1
- InChI Key
- YYBVZVQKTPUOLR-ICGLSYABSA-N
- Formula
- C30H61NO5Si3
- SMILES
-
CCCCCC(CCC1C(O[Si](C)(C)C)CC(=
NOC)C1CC=CCCCC(=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.
- 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 | 1.0809 | Relay (1.0) Calculated Property | |
| ΔfG° | -142.73 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1350.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.920 | Crippen Calculated Property | |
| Inp | 2752.00 | NIST | |
| Tboil | 687.78 | K | Relay (1.0) Calculated Property |
| Tc | 865.19 | K | Relay (1.0) Calculated Property |
| Tfus | 300.98 | 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-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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