- InChI
- InChI=1S/C10H13NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-7H,1-3H3
- InChI Key
- DRKFWQDBPGTSOO-UHFFFAOYSA-N
- Formula
- C10H13NO2
- SMILES
- Cc1ccc(C(C)C)cc1[N+](=O)[O-]
- Molecular Weight1
- 179.22
- CAS
- 943-15-7
- Other Names
-
- 2-Nitro-p-cymene
- p-Cymene, 2-nitro-
- 2-Nitro-para-cymene
- 4-Isopropyl-2-nitrotoluene
- Methyl-4-isopropyl-2-nitro-benzene
- 2-Nitro-4-isopropyltoluene
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | 159.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -52.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.66 | kJ/mol | Joback Calculated Property |
| log10WS | -3.78 | Crippen Calculated Property | |
| logPoct/wat | 3.027 | Crippen Calculated Property | |
| McVol | 145.420 | ml/mol | McGowan Calculated Property |
| Pc | 2899.85 | kPa | Joback Calculated Property |
| Tboil | 616.24 | K | Joback Calculated Property |
| Tc | 856.97 | K | Joback Calculated Property |
| Tfus | 382.53 | K | Joback Calculated Property |
| Vc | 0.564 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [357.61; 428.63] | J/mol×K | [616.24; 856.97] | 
|
| Cp,gas | 357.61 | J/mol×K | 616.24 | Joback Calculated Property |
| Cp,gas | 371.70 | J/mol×K | 656.36 | Joback Calculated Property |
| Cp,gas | 384.84 | J/mol×K | 696.48 | Joback Calculated Property |
| Cp,gas | 397.06 | J/mol×K | 736.61 | Joback Calculated Property |
| Cp,gas | 408.41 | J/mol×K | 776.73 | Joback Calculated Property |
| Cp,gas | 418.92 | J/mol×K | 816.85 | Joback Calculated Property |
| Cp,gas | 428.63 | J/mol×K | 856.97 | Joback Calculated Property |
| ΔvapH | 67.70 | kJ/mol | 392.50 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-methyl-4-(1-methylethyl)-2-nitro-.
Sources
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