- InChI
- InChI=1S/C10H9NO3/c1-8(12)10(11(13)14)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7-
- InChI Key
- OYRPMZZLRMIPOM-YFHOEESVSA-N
- Formula
- C10H9NO3
- SMILES
-
CC(=O)C(=Cc1ccccc1)[N+](=O)[O-
] - Molecular Weight1
- 191.18
- CAS
- 58321-86-1
- 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).
- 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° | 124.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -29.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.50 | kJ/mol | Joback Calculated Property |
| log10WS | -2.99 | Crippen Calculated Property | |
| logPoct/wat | 1.893 | Crippen Calculated Property | |
| McVol | 142.690 | ml/mol | McGowan Calculated Property |
| Pc | 3399.94 | kPa | Joback Calculated Property |
| Tboil | 664.63 | K | Joback Calculated Property |
| Tc | 919.67 | K | Joback Calculated Property |
| Tfus | 403.38 | K | Joback Calculated Property |
| Vc | 0.556 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.78; 408.08] | J/mol×K | [664.63; 919.67] | 
|
| Cp,gas | 349.78 | J/mol×K | 664.63 | Joback Calculated Property |
| Cp,gas | 361.80 | J/mol×K | 707.14 | Joback Calculated Property |
| Cp,gas | 372.77 | J/mol×K | 749.64 | Joback Calculated Property |
| Cp,gas | 382.80 | J/mol×K | 792.15 | Joback Calculated Property |
| Cp,gas | 391.97 | J/mol×K | 834.66 | Joback Calculated Property |
| Cp,gas | 400.36 | J/mol×K | 877.17 | Joback Calculated Property |
| Cp,gas | 408.08 | J/mol×K | 919.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Buten-2-one, 3-nitro-4-phenyl-, (E)-.
Sources
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