- InChI
- InChI=1S/C10H13NO3/c1-10(2,3)8-6-7(11(13)14)4-5-9(8)12/h4-6,12H,1-3H3
- InChI Key
- WPLSSAJHDAQNCO-UHFFFAOYSA-N
- Formula
- C10H13NO3
- SMILES
-
CC(C)(C)c1cc([N+](=O)[O-])ccc1
O - Molecular Weight1
- 195.22
- 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° | 19.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -221.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.10 | kJ/mol | Joback Calculated Property |
| log10WS | -2.98 | Crippen Calculated Property | |
| logPoct/wat | 2.598 | Crippen Calculated Property | |
| McVol | 151.290 | ml/mol | McGowan Calculated Property |
| Pc | 3534.66 | kPa | Joback Calculated Property |
| Inp | 1782.00 | NIST | |
| Tboil | 689.09 | K | Joback Calculated Property |
| Tc | 946.78 | K | Joback Calculated Property |
| Tfus | 499.15 | K | Joback Calculated Property |
| Vc | 0.524 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [408.40; 472.43] | J/mol×K | [689.09; 946.78] | 
|
| Cp,gas | 408.40 | J/mol×K | 689.09 | Joback Calculated Property |
| Cp,gas | 420.93 | J/mol×K | 732.04 | Joback Calculated Property |
| Cp,gas | 432.51 | J/mol×K | 774.99 | Joback Calculated Property |
| Cp,gas | 443.29 | J/mol×K | 817.94 | Joback Calculated Property |
| Cp,gas | 453.43 | J/mol×K | 860.88 | Joback Calculated Property |
| Cp,gas | 463.09 | J/mol×K | 903.83 | Joback Calculated Property |
| Cp,gas | 472.43 | J/mol×K | 946.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-(1,1-dimethylethyl)-4-nitro.
Sources
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