- InChI
- InChI=1S/C8H15BO3/c1-6(2)4-5-9-11-7(3)8(10)12-9/h6-7H,4-5H2,1-3H3
- InChI Key
- NTKXULUAHSUJQD-UHFFFAOYSA-N
- Formula
- C8H15BO3
- SMILES
- CC(C)CCB1OC(=O)C(C)O1
- Molecular Weight1
- 170.01
- 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 | 0.5058 | Relay (1.0) Calculated Property | |
| ΔfG° | -447.04 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -751.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 58.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.483 | Crippen Calculated Property | |
| Pc | 2408.40 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1044.00 | NIST | |
| Tboil | 492.11 | K | Relay (1.0) Calculated Property |
| Tc | 665.20 | K | Relay (1.0) Calculated Property |
| Tfus | 290.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.538 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2(?)-Hydroxypropanoic acid, isopentylboronate.
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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