- InChI
- InChI=1S/C29H58O5Si3/c1-11-12-15-18-24(30)21-22-26-25(19-16-13-14-17-20-29(31)34-37(8,9)10)27(32-35(2,3)4)23-28(26)33-36(5,6)7/h13,16,25-28H,11-12,14-15,17-23H2,1-10H3/b16-13-/t25-,26-,27+,28-/m0/s1
- InChI Key
- MSMSAAVJCYZXJI-UCQNIBCKSA-N
- Formula
- C29H58O5Si3
- SMILES
-
CCCCCC(=O)CCC1C(O[Si](C)(C)C)C
C(O[Si](C)(C)C)C1CC=CCCCC(=O)O [Si](C)(C)C - Molecular Weight1
- 571.02
- 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 | 0.9975 | Relay (1.0) Calculated Property | |
| ΔfG° | -278.78 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1509.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.487 | Crippen Calculated Property | |
| Inp | [2717.00; 2717.00] |
|
|
| Inp | 2717.00 | NIST | |
| Inp | 2717.00 | NIST | |
| Tboil | 686.07 | K | Relay (1.0) Calculated Property |
| Tc | 863.97 | K | Relay (1.0) Calculated Property |
| Tfus | 317.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.844 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 13,14-Dihydro-15-keto-PGF 2A, TMS.
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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