- InChI
- InChI=1S/C12H17NO2/c1-3-4-5-12(13-14)10-6-8-11(15-2)9-7-10/h6-9,14H,3-5H2,1-2H3
- InChI Key
- HHAJHKNIYQTFMG-UHFFFAOYSA-N
- Formula
- C12H17NO2
- SMILES
- CCCCC(=NO)c1ccc(OC)cc1
- Molecular Weight1
- 207.27
- CAS
- 55937-94-5
- Other Names
-
- p-Methoxy valerophenone oxime
- 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).
- 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 | 0.7873 | Relay (1.0) Calculated Property | |
| ΔfG° | 118.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -174.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.064 | Crippen Calculated Property | |
| McVol | 173.600 | ml/mol | McGowan Calculated Property |
| Pc | 2313.61 | kPa | Joback Calculated Property |
| Tboil | 595.67 | K | Relay (1.0) Calculated Property |
| Tc | 784.36 | K | Relay (1.0) Calculated Property |
| Tfus | 331.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.625 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Pentanone, 1-(4-methoxyphenyl)-, oxime.
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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