- InChI
- InChI=1S/C3H5NO3/c1-3(5)2-4(6)7/h2H2,1H3
- InChI Key
- QCDJOJKIHZQJGX-UHFFFAOYSA-N
- Formula
- C3H5NO3
- SMILES
- CC(=O)C[N+](=O)[O-]
- Molecular Weight1
- 103.08
- CAS
- 10230-68-9
- Other Names
-
- 2-Propanone, 1-nitro-
- Nitropropanone
- Nitroacetone
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔcH°solid | -1600.00 ± 0.63 | kJ/mol | NIST |
| ΔfG° | -118.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -228.59 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -295.00 ± 0.63 | kJ/mol | NIST |
| ΔfusH° | 16.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.61 | kJ/mol | Joback Calculated Property |
| log10WS | -0.44 | Crippen Calculated Property | |
| logPoct/wat | -0.148 | Crippen Calculated Property | |
| McVol | 72.120 | ml/mol | McGowan Calculated Property |
| Pc | 4883.38 | kPa | Joback Calculated Property |
| Tboil | 473.75 | K | Joback Calculated Property |
| Tc | 695.13 | K | Joback Calculated Property |
| Tfus | 317.11 | K | Joback Calculated Property |
| Vc | 0.291 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [142.71; 179.02] | J/mol×K | [473.75; 695.13] | 
|
| Cp,gas | 142.71 | J/mol×K | 473.75 | Joback Calculated Property |
| Cp,gas | 149.71 | J/mol×K | 510.65 | Joback Calculated Property |
| Cp,gas | 156.32 | J/mol×K | 547.54 | Joback Calculated Property |
| Cp,gas | 162.55 | J/mol×K | 584.44 | Joback Calculated Property |
| Cp,gas | 168.40 | J/mol×K | 621.34 | Joback Calculated Property |
| Cp,gas | 173.88 | J/mol×K | 658.23 | Joback Calculated Property |
| Cp,gas | 179.02 | J/mol×K | 695.13 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 376.70 | K | 3.20 | NIST |
Similar Compounds
Find more compounds similar to 1-Nitro-2-propanone.
Sources
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