- InChI
- InChI=1S/C9H9NO2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-6H,1H2,2H3
- InChI Key
- LCJRDURRRLSHJO-UHFFFAOYSA-N
- Formula
- C9H9NO2
- SMILES
- C=C(C)c1ccc([N+](=O)[O-])cc1
- Molecular Weight1
- 163.17
- CAS
- 1830-68-8
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- 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 |
|---|---|---|---|
| PAff | 815.40 | kJ/mol | NIST |
| BasG | 786.50 | kJ/mol | NIST |
| ΔfG° | 242.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 100.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.57 | kJ/mol | Joback Calculated Property |
| log10WS | -3.36 | Crippen Calculated Property | |
| logPoct/wat | 2.628 | Crippen Calculated Property | |
| McVol | 127.030 | ml/mol | McGowan Calculated Property |
| Pc | 3431.89 | kPa | Joback Calculated Property |
| Tboil | 585.38 | K | Joback Calculated Property |
| Tc | 835.06 | K | Joback Calculated Property |
| Tfus | 358.02 | K | Joback Calculated Property |
| Vc | 0.495 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.37; 352.53] | J/mol×K | [585.38; 835.06] | 
|
| Cp,gas | 290.37 | J/mol×K | 585.38 | Joback Calculated Property |
| Cp,gas | 302.95 | J/mol×K | 626.99 | Joback Calculated Property |
| Cp,gas | 314.56 | J/mol×K | 668.61 | Joback Calculated Property |
| Cp,gas | 325.27 | J/mol×K | 710.22 | Joback Calculated Property |
| Cp,gas | 335.12 | J/mol×K | 751.83 | Joback Calculated Property |
| Cp,gas | 344.19 | J/mol×K | 793.45 | Joback Calculated Property |
| Cp,gas | 352.53 | J/mol×K | 835.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(NO2)C6H4C(CH3)=CH2.
Sources
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