- InChI
- InChI=1S/C33H69NO5Si3/c1-12-14-18-21-28(34-36-26-15-13-2)24-25-30-29(22-19-16-17-20-23-33(35)39-42(9,10)11)31(37-40(3,4)5)27-32(30)38-41(6,7)8/h29-32H,12-27H2,1-11H3/t29-,30-,31+,32-/m0/s1
- InChI Key
- HVPUTDTWEIYAQD-IHZBLBIESA-N
- Formula
- C33H69NO5Si3
- SMILES
-
CCCCCC(CCC1C(O[Si](C)(C)C)CC(O
[Si](C)(C)C)C1CCCCCCC(=O)O[Si] (C)(C)C)=NOCCCC - Molecular Weight1
- 644.16
- 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 | 1.2825 | Relay (1.0) Calculated Property | |
| ΔfG° | -203.44 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1475.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 118.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.315 | Crippen Calculated Property | |
| Inp | [2922.00; 2922.00] |
|
|
| Inp | 2922.00 | NIST | |
| Inp | 2922.00 | NIST | |
| Tboil | 714.28 | K | Relay (1.0) Calculated Property |
| Tc | 890.14 | K | Relay (1.0) Calculated Property |
| Tfus | 297.38 | K | Relay (1.0) Calculated Property |
| Vc | 2.150 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 13,14-Dihydro-15-keto-PGF1A, BO-TMS, isomer # 1.
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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