- InChI
- InChI=1S/C10H11NO2/c1-8-3-5-10(6-4-8)7-9(2)11(12)13/h3-7H,1-2H3/b9-7-
- InChI Key
- JEKFDNFWPBWEKO-CLFYSBASSA-N
- Formula
- C10H11NO2
- SMILES
- CC(=Cc1ccc(C)cc1)[N+](=O)[O-]
- Molecular Weight1
- 177.20
- CAS
- 52287-56-6
- Other Names
-
- trans-4-Methyl-«beta»-methyl-«beta»-nitrostyrene
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.4715 | Relay (1.0) Calculated Property | |
| ΔfG° | 243.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 57.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.633 | Crippen Calculated Property | |
| McVol | 141.120 | ml/mol | McGowan Calculated Property |
| Pc | 3110.57 | kPa | Joback Calculated Property |
| Tboil | 551.41 | K | Relay (1.0) Calculated Property |
| Tc | 778.57 | K | Relay (1.0) Calculated Property |
| Tfus | 355.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.487 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [336.75; 403.75] | J/mol×K | [615.74; 865.48] | 
|
| Cp,gas | 336.75 | J/mol×K | 615.74 | Joback Calculated Property |
| Cp,gas | 350.25 | J/mol×K | 657.36 | Joback Calculated Property |
| Cp,gas | 362.72 | J/mol×K | 698.99 | Joback Calculated Property |
| Cp,gas | 374.22 | J/mol×K | 740.61 | Joback Calculated Property |
| Cp,gas | 384.84 | J/mol×K | 782.24 | Joback Calculated Property |
| Cp,gas | 394.66 | J/mol×K | 823.86 | Joback Calculated Property |
| Cp,gas | 403.75 | J/mol×K | 865.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-«beta»-methyl-«beta»-nitrostyrene.
Sources
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