- InChI
- InChI=1S/C10H9NO3/c1-8(12)6-7-9-4-2-3-5-10(9)11(13)14/h2-7H,1H3/b7-6+
- InChI Key
- FRPAGLRAZLFTGW-VOTSOKGWSA-N
- Formula
- C10H9NO3
- SMILES
- CC(=O)C=Cc1ccccc1[N+](=O)[O-]
- Molecular Weight1
- 191.18
- CAS
- 20766-40-9
- 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).
- ΔfusH° : Enthalpy of fusion 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 |
|---|---|---|---|
| ΔfG° | 122.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -30.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.09 | kJ/mol | Joback Calculated Property |
| IE | 9.00 | eV | NIST |
| log10WS | -3.06 | Crippen Calculated Property | |
| logPoct/wat | 2.197 | Crippen Calculated Property | |
| McVol | 142.690 | ml/mol | McGowan Calculated Property |
| Pc | 3322.01 | kPa | Joback Calculated Property |
| Tboil | 669.73 | K | Joback Calculated Property |
| Tc | 921.09 | K | Joback Calculated Property |
| Tfus | 429.86 | K | Joback Calculated Property |
| Vc | 0.555 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [348.57; 405.57] | J/mol×K | [669.73; 921.09] | 
|
| Cp,gas | 348.57 | J/mol×K | 669.73 | Joback Calculated Property |
| Cp,gas | 360.22 | J/mol×K | 711.62 | Joback Calculated Property |
| Cp,gas | 370.90 | J/mol×K | 753.52 | Joback Calculated Property |
| Cp,gas | 380.71 | J/mol×K | 795.41 | Joback Calculated Property |
| Cp,gas | 389.70 | J/mol×K | 837.30 | Joback Calculated Property |
| Cp,gas | 397.97 | J/mol×K | 879.20 | Joback Calculated Property |
| Cp,gas | 405.57 | J/mol×K | 921.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(2-Nitrophenyl)but-3-en-2-one.
Sources
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