- InChI
- InChI=1S/C34H66N2O5Si2/c1-10-13-18-21-29(35-38-26-14-11-2)24-25-31-30(22-19-16-17-20-23-34(37)41-43(7,8)9)32(36-39-27-15-12-3)28-33(31)40-42(4,5)6/h16,19,30-31,33H,10-15,17-18,20-28H2,1-9H3/b19-16-,35-29?,36-32?/t30-,31-,33-/m0/s1
- InChI Key
- GVSHYYIQRKPSGU-ORGQUXCYSA-N
- Formula
- C34H66N2O5Si2
- SMILES
-
CCCCCC(CCC1C(O[Si](C)(C)C)CC(=
NOCCCC)C1CC=CCCCC(=O)O[Si](C)( C)C)=NOCCCC - Molecular Weight1
- 639.07
- 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 | 1.3289 | Relay (1.0) Calculated Property | |
| ΔfG° | -58.68 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1181.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 126.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.043 | Crippen Calculated Property | |
| Inp | 3096.00 | NIST | |
| Tboil | 732.34 | K | Relay (1.0) Calculated Property |
| Tc | 904.22 | K | Relay (1.0) Calculated Property |
| Tfus | 275.56 | K | Relay (1.0) Calculated Property |
| Vc | 2.044 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 13,14-Dihydro-15-keto-PGE2, 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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