- InChI
- InChI=1S/C34H71NO5Si4/c1-15-16-17-21-30(38-42(6,7)8)23-24-31-28(27-41(3,4)5)25-33(39-43(9,10)11)32(31)26-29(35-37-2)20-18-19-22-34(36)40-44(12,13)14/h23-24,28,30-33H,15-22,25-27H2,1-14H3/b24-23+,35-29?/t28-,30-,31+,32-,33-/m1/s1
- InChI Key
- AQGAIGJYJZDSGB-MIGCGHNUSA-N
- Formula
- C34H71NO5Si4
- SMILES
-
CCCCCC(C=CC1C(C[Si](C)(C)C)CC(
O[Si](C)(C)C)C1CC(CCCCC(=O)O[S i](C)(C)C)=NOC)O[Si](C)(C)C - Molecular Weight1
- 686.27
- 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.
- Pc : Critical Pressure (kPa).
- 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 | 1.1589 | Relay (1.0) Calculated Property | |
| ΔfG° | -118.95 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1531.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 114.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.485 | Crippen Calculated Property | |
| Pc | -1015.02 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2823.00 | NIST | |
| Tboil | 717.92 | K | Relay (1.0) Calculated Property |
| Tc | 886.40 | K | Relay (1.0) Calculated Property |
| Tfus | 336.00 | K | Relay (1.0) Calculated Property |
| Vc | 2.232 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 6-Keto-PGF1A, MO-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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