- InChI
- InChI=1S/C37H77NO5Si4/c1-15-17-19-23-33(41-45(6,7)8)25-26-34-31(30-44(3,4)5)28-36(42-46(9,10)11)35(34)29-32(38-40-27-18-16-2)22-20-21-24-37(39)43-47(12,13)14/h25-26,31,33-36H,15-24,27-30H2,1-14H3/b26-25+,38-32?/t31-,33-,34+,35-,36-/m1/s1
- InChI Key
- MHPMXOMGJCDOJX-JGNWWJDASA-N
- Formula
- C37H77NO5Si4
- SMILES
-
CCCCCC(C=CC1C(C[Si](C)(C)C)CC(
O[Si](C)(C)C)C1CC(CCCCC(=O)O[S i](C)(C)C)=NOCCCC)O[Si](C)(C)C - Molecular Weight1
- 728.35
- 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 | 1.2716 | Relay (1.0) Calculated Property | |
| ΔfG° | -132.06 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1604.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 119.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.655 | Crippen Calculated Property | |
| Inp | 2995.00 | NIST | |
| Tboil | 744.79 | K | Relay (1.0) Calculated Property |
| Tc | 905.06 | K | Relay (1.0) Calculated Property |
| Tfus | 318.33 | K | Relay (1.0) Calculated Property |
| Vc | 2.398 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 6-Keto-PGF1A, BO-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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