- InChI
- InChI=1S/C8H17NO/c1-3-5-7-8(9-10)6-4-2/h10H,3-7H2,1-2H3/b9-8+
- InChI Key
- AKLMPECUKBNPII-CMDGGOBGSA-N
- Formula
- C8H17NO
- SMILES
- CCCCC(CCC)=NO
- Molecular Weight1
- 143.23
- CAS
- 7207-51-4
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.6765 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -5339.40 ± 1.80 | kJ/mol | NIST |
| ΔfG° | 107.67 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -181.10 ± 3.70 | kJ/mol | NIST |
| ΔvapH° | 66.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.807 | Crippen Calculated Property | |
| McVol | 135.130 | ml/mol | McGowan Calculated Property |
| Pc | 2515.07 | kPa | Joback Calculated Property |
| Tboil | 482.03 | K | Relay (1.0) Calculated Property |
| Tc | 663.93 | K | Relay (1.0) Calculated Property |
| Tfus | 270.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.501 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 68.80 | kJ/mol | 346.50 | NIST |
Similar Compounds
Find more compounds similar to Octanone-4-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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