- InChI
- InChI=1S/C15H22N2O4/c1-14(2,3)9-15(4,5)11-6-10(8-16-19)13(18)12(7-11)17(20)21/h6-8,18-19H,9H2,1-5H3
- InChI Key
- UAWZWSYAHLOIEX-UHFFFAOYSA-N
- Formula
- C15H22N2O4
- SMILES
-
CC(C)(C)CC(C)(C)c1cc(C=NO)c(O)
c([N+](=O)[O-])c1 - Molecular Weight1
- 294.35
- 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 | 0.9598 | Relay (1.0) Calculated Property | |
| ΔfG° | 162.12 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -310.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.822 | Crippen Calculated Property | |
| McVol | 233.290 | ml/mol | McGowan Calculated Property |
| Pc | 2121.68 | kPa | Joback Calculated Property |
| Inp | [2241.00; 2241.00] |
|
|
| Inp | 2241.00 | NIST | |
| Inp | 2241.00 | NIST | |
| Tboil | 595.39 | K | Relay (1.0) Calculated Property |
| Tc | 922.62 | K | Relay (1.0) Calculated Property |
| Tfus | 421.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.794 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to benzaldehyde oxime, 2-hydroxy, 3-nitro, 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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