- InChI
- InChI=1S/C11H15NO2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12-14/h4-7,13-14H,1-3H3/b12-7+
- InChI Key
- JPVAJIHITBSSAM-KPKJPENVSA-N
- Formula
- C11H15NO2
- SMILES
- CC(C)(C)c1ccc(O)c(C=NO)c1
- Molecular Weight1
- 193.24
- 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.
- McVol : McGowan's characteristic volume (ml/mol).
- 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 | 0.7603 | Relay (... Calculated Property | |
| ΔfG° | 94.47 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -201.19 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 89.90 | kJ/mol | Relay (... Calculated Property |
| IE | 8.13 | eV | Relay (... Calculated Property |
| log10WS | -2.76 | Relay (... Calculated Property | |
| logPoct/wat | 2.498 | Crippen Calculated Property | |
| McVol | 159.510 | ml/mol | McGowan Calculated Property |
| Pc | 3076.16 | kPa | Joback Calculated Property |
| Inp | 1763.00 | NIST | |
| Tboil | 562.03 | K | Relay (... Calculated Property |
| Tc | 821.84 | K | Relay (... Calculated Property |
| Tfus | 403.98 | K | Relay (... Calculated Property |
| Vc | 0.545 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to benzaldehyde oxime, 2-hydroxy, 5-(t-butyl).
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
- Joback Method
- McGowan Method
- NIST Webbook
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