- InChI
- InChI=1S/C37H76N2O6Si3/c1-13-16-19-22-31(38-41-27-17-14-2)25-26-33-34(36(44-47(7,8)9)30-35(33)43-46(4,5)6)29-32(39-42-28-18-15-3)23-20-21-24-37(40)45-48(10,11)12/h33-36H,13-30H2,1-12H3/t33-,34-,35-,36+/m0/s1
- InChI Key
- LQTFTWUJGAVZNV-SKXFTCKDSA-N
- Formula
- C37H76N2O6Si3
- SMILES
-
CCCCCC(CCC1C(O[Si](C)(C)C)CC(O
[Si](C)(C)C)C1CC(CCCCC(=O)O[Si ](C)(C)C)=NOCCCC)=NOCCCC - Molecular Weight1
- 729.27
- 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 | 1.4756 | Relay (1.0) Calculated Property | |
| ΔfG° | -184.71 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1522.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 127.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.097 | Crippen Calculated Property | |
| Inp | [3178.00; 3178.00] |
|
|
| Inp | 3178.00 | NIST | |
| Inp | 3178.00 | NIST | |
| Tboil | 760.09 | K | Relay (1.0) Calculated Property |
| Tc | 922.08 | K | Relay (1.0) Calculated Property |
| Tfus | 288.35 | K | Relay (1.0) Calculated Property |
| Vc | 2.384 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 13,14-Dihydro-6,15-diketo-PGF1A, BO-TMS, isomer # 3.
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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