- InChI
- InChI=1S/C9H17BO3/c1-3-5-6-7-10-12-8(4-2)9(11)13-10/h8H,3-7H2,1-2H3
- InChI Key
- YITORRQAYXWUFF-UHFFFAOYSA-N
- Formula
- C9H17BO3
- SMILES
- CCCCCB1OC(=O)C(CC)O1
- Molecular Weight1
- 184.04
- 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 | 0.5808 | Relay (1.0) Calculated Property | |
| ΔfG° | -440.25 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -754.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.017 | Crippen Calculated Property | |
| Pc | 2326.93 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1210.00; 1217.00] |
|
|
| Inp | 1210.00 | NIST | |
| Inp | 1217.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Tboil | 510.58 | K | Relay (1.0) Calculated Property |
| Tc | 696.17 | K | Relay (1.0) Calculated Property |
| Tfus | 298.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.590 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2(?)-Hydroxybutanoic 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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