- InChI
- InChI=1S/C18H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19-20-3/h4-17H2,1-3H3/b19-18+
- InChI Key
- SHPYNUARUZVYGM-VHEBQXMUSA-N
- Formula
- C18H37NO
- SMILES
- CCCCCCCCCCCCCCCC(C)=NOC
- Molecular Weight1
- 283.49
- 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).
- I : 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 | 0.9040 | Relay (1.0) Calculated Property | |
| ΔfG° | 169.03 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -355.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.490 | Crippen Calculated Property | |
| McVol | 276.030 | ml/mol | McGowan Calculated Property |
| Pc | 1065.87 | kPa | Joback Calculated Property |
| I | [2827.00; 2827.00] |
|
|
| I | 2827.00 | NIST | |
| I | 2827.00 | NIST | |
| Tboil | 568.97 | K | Relay (1.0) Calculated Property |
| Tc | 750.58 | K | Relay (1.0) Calculated Property |
| Tfus | 306.86 | K | Relay (1.0) Calculated Property |
| Vc | 1.072 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-heptadecanone O-methyloxime.
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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