- InChI
- InChI=1S/C9H9NO3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3/b7-6+
- InChI Key
- FVKSRNVYJXQCLK-VOTSOKGWSA-N
- Formula
- C9H9NO3
- SMILES
- COc1ccccc1C=C[N+](=O)[O-]
- Molecular Weight1
- 179.17
- CAS
- 3316-24-3
- Other Names
-
- 1-Methoxy-2-(2-nitroethenyl)benzene
- 1-(2-Methoxyphenyl)-2-nitroethene
- 2-(2-Nitrovinyl)anisole
- 2-Methoxy-«beta»-nitrostyrene
- o-Methoxy-«beta»-nitrostyrene
- Anisole, o-(2-nitrovinyl)-
- 1-Methoxy-2-(2-nitrovinyl)benzene
- Ethene,-1-(2-methoxyphenyl)-2-nitro-
- NSC 170699
- NSC 59450
- 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° | 138.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -29.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.53 | kJ/mol | Joback Calculated Property |
| log10WS | -2.99 | Crippen Calculated Property | |
| logPoct/wat | 1.943 | Crippen Calculated Property | |
| McVol | 132.900 | ml/mol | McGowan Calculated Property |
| Pc | 3384.14 | kPa | Joback Calculated Property |
| Tboil | 615.40 | K | Joback Calculated Property |
| Tc | 861.96 | K | Joback Calculated Property |
| Tfus | 390.89 | K | Joback Calculated Property |
| Vc | 0.511 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [312.97; 373.54] | J/mol×K | [615.40; 861.96] | 
|
| Cp,gas | 312.97 | J/mol×K | 615.40 | Joback Calculated Property |
| Cp,gas | 325.17 | J/mol×K | 656.49 | Joback Calculated Property |
| Cp,gas | 336.46 | J/mol×K | 697.59 | Joback Calculated Property |
| Cp,gas | 346.90 | J/mol×K | 738.68 | Joback Calculated Property |
| Cp,gas | 356.53 | J/mol×K | 779.77 | Joback Calculated Property |
| Cp,gas | 365.40 | J/mol×K | 820.86 | Joback Calculated Property |
| Cp,gas | 373.54 | J/mol×K | 861.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methoxy-2-(2-nitroethenyl)-.
Sources
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