- InChI
- InChI=1S/C15H15BO2/c1-16-17-14-7-6-12-8-10-4-2-3-5-11(10)9-13(12)15(14)18-16/h2-5,8-9,14-15H,6-7H2,1H3/t14-,15-/m0/s1
- InChI Key
- NJQMHEASOUJRTC-GJZGRUSLSA-N
- Formula
- C15H15BO2
- SMILES
- CB1OC2CCc3cc4ccccc4cc3C2O1
- Molecular Weight1
- 238.09
- 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 | 0.5210 | Relay (... Calculated Property | |
| ΔfG° | 7.29 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -295.26 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 90.25 | kJ/mol | Relay (... Calculated Property |
| IE | 8.17 | eV | Relay (... Calculated Property |
| log10WS | -4.26 | Relay (... Calculated Property | |
| logPoct/wat | 3.360 | Crippen Calculated Property | |
| Pc | 2334.67 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1990.00 | NIST | |
| Tboil | 642.21 | K | Relay (... Calculated Property |
| Tc | 896.81 | K | Relay (... Calculated Property |
| Tfus | 407.63 | K | Relay (... Calculated Property |
| Vc | 0.703 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to trans-Anthracene, 1,2,3,4-tetrahydro-1,2-diol, metylboronate.
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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