- InChI
- InChI=1S/C6H13NO/c1-4-5-6(2)7-8-3/h4-5H2,1-3H3
- InChI Key
- CMUPRWBXGFPVTG-UHFFFAOYSA-N
- Formula
- C6H13NO
- SMILES
- CCCC(C)=NOC
- Molecular Weight1
- 115.17
- CAS
- 31377-00-1
- 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 | 0.4571 | Relay (1.0) Calculated Property | |
| ΔfG° | 84.94 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -87.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 39.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.809 | Crippen Calculated Property | |
| McVol | 106.950 | ml/mol | McGowan Calculated Property |
| Pc | 2738.28 | kPa | Joback Calculated Property |
| Inp | 781.00 | NIST | |
| Tboil | 378.20 | K | Relay (1.0) Calculated Property |
| Tc | 562.54 | K | Relay (1.0) Calculated Property |
| Tfus | 198.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.395 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentanone, 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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