- InChI
- InChI=1S/C31H64N2O6Si3/c1-13-14-15-18-25(32-35-2)21-22-27-28(30(38-41(7,8)9)24-29(27)37-40(4,5)6)23-26(33-36-3)19-16-17-20-31(34)39-42(10,11)12/h27-30H,13-24H2,1-12H3/t27-,28-,29-,30+/m0/s1
- InChI Key
- VIPQHXNLXJXFOZ-GCXHJFECSA-N
- Formula
- C31H64N2O6Si3
- SMILES
-
CCCCCC(CCC1C(O[Si](C)(C)C)CC(O
[Si](C)(C)C)C1CC(CCCCC(=O)O[Si ](C)(C)C)=NOC)=NOC - Molecular Weight1
- 645.11
- 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 | 1.2614 | Relay (1.0) Calculated Property | |
| ΔfG° | -158.86 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1380.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.757 | Crippen Calculated Property | |
| Inp | [2849.00; 2849.00] |
|
|
| Inp | 2849.00 | NIST | |
| Inp | 2849.00 | NIST | |
| Tboil | 708.70 | K | Relay (1.0) Calculated Property |
| Tc | 885.46 | K | Relay (1.0) Calculated Property |
| Tfus | 320.40 | K | Relay (1.0) Calculated Property |
| Vc | 2.057 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 13,14-Dihydro-6,15-diketo-PGF1A, MO-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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