- InChI
- InChI=1S/C24H43BO5/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/h15-16,19-23,26H,3-14,17-18H2,1-2H3,(H,27,28)/b16-15+/t19-,20+,21+,22-,23+/m1/s1
- InChI Key
- JVRQPYYICMNSEK-SAKNCAIISA-N
- Formula
- C24H43BO5
- SMILES
-
CCCCCC(O)C=CC1C2CC(OB(CCCC)O2)
C1CCCCCCC(=O)O - Molecular Weight1
- 422.41
- 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 | 1.2041 | Relay (1.0) Calculated Property | |
| ΔfG° | -384.40 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1266.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 157.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.617 | Crippen Calculated Property | |
| Pc | 729.69 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2885.00; 2885.00] |
|
|
| Inp | 2885.00 | NIST | |
| Inp | 2885.00 | NIST | |
| Tboil | 696.21 | K | Relay (1.0) Calculated Property |
| Tc | 944.02 | K | Relay (1.0) Calculated Property |
| Tfus | 417.71 | K | Relay (1.0) Calculated Property |
| Vc | 1.314 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Prostaglandine F1A, 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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