- InChI
- InChI=1S/C8H7NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h2-6H,1H2
- InChI Key
- SYZVQXIUVGKCBJ-UHFFFAOYSA-N
- Formula
- C8H7NO2
- SMILES
- C=Cc1cccc([N+](=O)[O-])c1
- Molecular Weight1
- 149.15
- CAS
- 586-39-0
- Other Names
-
- 3-Nitrostyrene
- m-Nitrostyrene
- Styrene, m-nitro-
- m-Vinylnitrobenzene
- 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° | 242.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 131.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.26 | kJ/mol | Joback Calculated Property |
| log10WS | -2.95 | Crippen Calculated Property | |
| logPoct/wat | 2.238 | Crippen Calculated Property | |
| McVol | 112.940 | ml/mol | McGowan Calculated Property |
| Pc | 3829.28 | kPa | Joback Calculated Property |
| Tboil | 562.62 | K | Joback Calculated Property |
| Tc | 812.97 | K | Joback Calculated Property |
| Tfus | 360.71 | K | Joback Calculated Property |
| Vc | 0.439 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.77; 301.74] | J/mol×K | [562.62; 812.97] | 
|
| Cp,gas | 245.77 | J/mol×K | 562.62 | Joback Calculated Property |
| Cp,gas | 257.15 | J/mol×K | 604.34 | Joback Calculated Property |
| Cp,gas | 267.64 | J/mol×K | 646.07 | Joback Calculated Property |
| Cp,gas | 277.29 | J/mol×K | 687.79 | Joback Calculated Property |
| Cp,gas | 286.15 | J/mol×K | 729.52 | Joback Calculated Property |
| Cp,gas | 294.28 | J/mol×K | 771.24 | Joback Calculated Property |
| Cp,gas | 301.74 | J/mol×K | 812.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-ethenyl-3-nitro-.
Sources
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