- InChI
- InChI=1S/C7H15NO/c1-5(2)7(8-9)6(3)4/h5-6,9H,1-4H3
- InChI Key
- PULCKIYKBGOTTG-UHFFFAOYSA-N
- Formula
- C7H15NO
- SMILES
- CC(C)C(=NO)C(C)C
- Molecular Weight1
- 129.20
- CAS
- 1113-74-2
- Other Names
-
- 2,4-dimethylpentan-3-one 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 | 0.5726 | Relay (... Calculated Property | |
| ΔfG° | 117.35 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -157.00 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 63.15 | kJ/mol | Relay (... Calculated Property |
| IE | 8.80 | eV | Relay (... Calculated Property |
| log10WS | -1.49 | Relay (... Calculated Property | |
| logPoct/wat | 2.129 | Crippen Calculated Property | |
| McVol | 121.040 | ml/mol | McGowan Calculated Property |
| Pc | 2823.32 | kPa | Joback Calculated Property |
| Tboil | 459.67 | K | Relay (... Calculated Property |
| Tc | 626.06 | K | Relay (... Calculated Property |
| Tfus | 297.64 | K | Relay (... Calculated Property |
| Vc | 0.428 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentanone, 2,4-dimethyl-, 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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