- InChI
- InChI=1S/C11H15NO3/c1-4-11(2,3)9-7-8(12(14)15)5-6-10(9)13/h5-7,13H,4H2,1-3H3
- InChI Key
- UANRRFFKYCFDKZ-UHFFFAOYSA-N
- Formula
- C11H15NO3
- SMILES
-
CCC(C)(C)c1cc([N+](=O)[O-])ccc
1O - Molecular Weight1
- 209.24
- 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).
- Inp : Non-polar retention indices.
- 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° | 28.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -242.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.33 | kJ/mol | Joback Calculated Property |
| log10WS | -3.40 | Crippen Calculated Property | |
| logPoct/wat | 2.988 | Crippen Calculated Property | |
| McVol | 165.380 | ml/mol | McGowan Calculated Property |
| Pc | 3163.27 | kPa | Joback Calculated Property |
| Inp | [1865.00; 1865.00] |
|
|
| Inp | 1865.00 | NIST | |
| Inp | 1865.00 | NIST | |
| Tboil | 711.97 | K | Joback Calculated Property |
| Tc | 963.76 | K | Joback Calculated Property |
| Tfus | 510.42 | K | Joback Calculated Property |
| Vc | 0.581 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [458.65; 526.84] | J/mol×K | [711.97; 963.76] |
|
| Cp,gas | 458.65 | J/mol×K | 711.97 | Joback Calculated Property |
| Cp,gas | 471.84 | J/mol×K | 753.94 | Joback Calculated Property |
| Cp,gas | 484.09 | J/mol×K | 795.90 | Joback Calculated Property |
| Cp,gas | 495.56 | J/mol×K | 837.87 | Joback Calculated Property |
| Cp,gas | 506.41 | J/mol×K | 879.83 | Joback Calculated Property |
| Cp,gas | 516.79 | J/mol×K | 921.80 | Joback Calculated Property |
| Cp,gas | 526.84 | J/mol×K | 963.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-(1,1-dimethylpropyl)-4-nitro.
Sources
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