- InChI
- InChI=1S/C24H39BO5/c1-3-5-9-12-19(26)15-16-21-20(13-10-7-8-11-14-24(27)28)22-18-23(21)30-25(29-22)17-6-4-2/h5,7,9-10,15-16,19-23,26H,3-4,6,8,11-14,17-18H2,1-2H3,(H,27,28)/b9-5-,10-7-,16-15+/t19-,20+,21+,22-,23+/m1/s1
- InChI Key
- KOVZVISZSIBQND-CWDXXJQKSA-N
- Formula
- C24H39BO5
- SMILES
-
CCC=CCC(O)C=CC1C2CC(OB(CCCC)O2
)C1CC=CCCCC(=O)O - Molecular Weight1
- 418.37
- 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 | 1.0475 | Relay (... Calculated Property | |
| ΔfG° | -278.59 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1165.38 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 156.65 | kJ/mol | Relay (... Calculated Property |
| IE | 8.71 | eV | Relay (... Calculated Property |
| log10WS | -3.87 | Relay (... Calculated Property | |
| logPoct/wat | 5.169 | Crippen Calculated Property | |
| Pc | 642.91 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2845.00 | NIST | |
| Tboil | 695.13 | K | Relay (... Calculated Property |
| Tc | 942.28 | K | Relay (... Calculated Property |
| Tfus | 417.93 | K | Relay (... Calculated Property |
| Vc | 1.215 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Prostaglandine F3A, butaneboronate.
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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