- InChI
- InChI=1S/C11H13BO2/c1-12-13-10-6-8-4-2-3-5-9(8)7-11(10)14-12/h2-5,10-11H,6-7H2,1H3/t10-,11-/m0/s1
- InChI Key
- PJNXJKWMVIXZEJ-QWRGUYRKSA-N
- Formula
- C11H13BO2
- SMILES
- CB1OC2Cc3ccccc3CC2O1
- Molecular Weight1
- 188.03
- 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 | 0.4305 | Relay (1.0) Calculated Property | |
| ΔfG° | -65.43 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -349.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.687 | Crippen Calculated Property | |
| Pc | 2868.75 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1415.00; 1415.00] |
|
|
| Inp | 1415.00 | NIST | |
| Inp | 1415.00 | NIST | |
| Tboil | 543.32 | K | Relay (1.0) Calculated Property |
| Tc | 774.68 | K | Relay (1.0) Calculated Property |
| Tfus | 360.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.563 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to trans-Tetralin-2,3-diol, methylboronate.
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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