- InChI
- InChI=1S/C8H15BO3/c1-3-4-5-6-9-11-7(2)8(10)12-9/h7H,3-6H2,1-2H3
- InChI Key
- DIKOJYMSNFISHX-UHFFFAOYSA-N
- Formula
- C8H15BO3
- SMILES
- CCCCCB1OC(=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 | 0.5407 | Relay (1.0) Calculated Property | |
| ΔfG° | -445.50 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -741.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 58.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.627 | Crippen Calculated Property | |
| Pc | 2438.86 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1123.00; 1124.00] |
|
|
| Inp | 1124.00 | NIST | |
| Inp | 1123.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Tboil | 496.77 | K | Relay (1.0) Calculated Property |
| Tc | 671.45 | K | Relay (1.0) Calculated Property |
| Tfus | 297.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.545 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2(?)-Hydroxypropanoic 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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