- InChI
- InChI=1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3
- InChI Key
- PXAJQJMDEXJWFB-UHFFFAOYSA-N
- Formula
- C3H7NO
- SMILES
- CC(C)=NO
- Molecular Weight1
- 73.09
- CAS
- 127-06-0
- Other Names
-
- Acetone, oxime
- «beta»-Isonitrosopropane
- Acetoxime
- (CH3)2C=NOH
- Acetonoxime
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 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 | 0.5249 | Relay (... Calculated Property | |
| ΔcH°solid | -2052.00 | kJ/mol | NIST |
| ΔfG° | 84.45 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -69.03 | kJ/mol | Relay (... Calculated Property |
| ΔfH°solid | -140.00 | kJ/mol | NIST |
| ΔvapH° | 54.50 | kJ/mol | Relay (... Calculated Property |
| IE | [9.10; 9.67] | eV |
|
| IE | 9.10 | eV | NIST |
| IE | 9.67 | eV | NIST |
| log10WS | 0.77 | Relay (... Calculated Property | |
| logPoct/wat | 0.856 | Crippen Calculated Property | |
| McVol | 64.680 | ml/mol | McGowan Calculated Property |
| Pc | 4362.63 | kPa | Joback Calculated Property |
| Inp | 700.00 | NIST | |
| Tboil | [406.00; 408.20] | K |
|
| Tboil | 408.20 | K | NIST |
| Tboil | 406.00 | K | NIST |
| Tc | 571.42 | K | Relay (... Calculated Property |
| Tfus | 298.86 | K | Relay (... Calculated Property |
| Vc | 0.240 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 59.60 | kJ/mol | 323.00 | NIST |
| ΔvapH | 51.40 | kJ/mol | 345.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Propanone, 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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