- InChI
- InChI=1S/C7H13BO3/c1-2-3-4-5-8-10-6-7(9)11-8/h2-6H2,1H3
- InChI Key
- MKVAYTRUZWMUTR-UHFFFAOYSA-N
- Formula
- C7H13BO3
- SMILES
- CCCCCB1OCC(=O)O1
- Molecular Weight1
- 155.99
- 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 | 0.5526 | Relay (1.0) Calculated Property | |
| ΔfG° | -430.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -689.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 59.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.238 | Crippen Calculated Property | |
| Pc | 2836.96 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1018.00; 1019.00] |
|
|
| Inp | 1019.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Tboil | 515.04 | K | Relay (1.0) Calculated Property |
| Tc | 682.79 | K | Relay (1.0) Calculated Property |
| Tfus | 282.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.488 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Hydroxyacetic acid, pentylboronate.
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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