- InChI
- InChI=1S/C11H14ClNO2/c1-11(2,3)8-4-7(6-13-15)10(14)9(12)5-8/h4-6,14-15H,1-3H3
- InChI Key
- DHHCMLJRUBUEKF-UHFFFAOYSA-N
- Formula
- C11H14ClNO2
- SMILES
- CC(C)(C)c1cc(Cl)c(O)c(C=NO)c1
- Molecular Weight1
- 227.69
- 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 | 0.7726 | Relay (... Calculated Property | |
| ΔfG° | 64.40 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -239.43 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 93.01 | kJ/mol | Relay (... Calculated Property |
| IE | 8.28 | eV | Relay (... Calculated Property |
| log10WS | -3.46 | Relay (... Calculated Property | |
| logPoct/wat | 3.151 | Crippen Calculated Property | |
| McVol | 171.750 | ml/mol | McGowan Calculated Property |
| Pc | 2906.11 | kPa | Joback Calculated Property |
| Inp | [1873.00; 1873.00] |
|
|
| Inp | 1873.00 | NIST | |
| Inp | 1873.00 | NIST | |
| Tboil | 539.94 | K | Relay (... Calculated Property |
| Tc | 852.93 | K | Relay (... Calculated Property |
| Tfus | 388.51 | K | Relay (... Calculated Property |
| Vc | 0.589 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to benzaldehyde oxime, 2-hydroxy, 3-chloro, 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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