- InChI
- InChI=1S/C15H22ClNO2/c1-14(2,3)9-15(4,5)11-6-10(8-17-19)13(18)12(16)7-11/h6-8,18-19H,9H2,1-5H3
- InChI Key
- GKVNHPFPIOVDLX-UHFFFAOYSA-N
- Formula
- C15H22ClNO2
- SMILES
-
CC(C)(C)CC(C)(C)c1cc(Cl)c(O)c(
C=NO)c1 - Molecular Weight1
- 283.79
- 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 | 0.8490 | Relay (... Calculated Property | |
| ΔfG° | 88.49 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -333.38 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 99.38 | kJ/mol | Relay (... Calculated Property |
| IE | 8.30 | eV | Relay (... Calculated Property |
| log10WS | -4.95 | Relay (... Calculated Property | |
| logPoct/wat | 4.567 | Crippen Calculated Property | |
| McVol | 228.110 | ml/mol | McGowan Calculated Property |
| Pc | 2029.06 | kPa | Joback Calculated Property |
| Inp | [2105.00; 2105.00] |
|
|
| Inp | 2105.00 | NIST | |
| Inp | 2105.00 | NIST | |
| Tboil | 572.68 | K | Relay (... Calculated Property |
| Tc | 879.91 | K | Relay (... Calculated Property |
| Tfus | 405.25 | K | Relay (... Calculated Property |
| Vc | 0.784 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to benzaldehyde oxime, 2-hydroxy, 3-chloro, 5-(1,1,3,3-tetramethylbutyl).
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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