- InChI
- InChI=1S/C10H13NO3/c1-3-7(2)8-5-4-6-9(10(8)12)11(13)14/h4-7,12H,3H2,1-2H3
- InChI Key
- FPHJBQJDAVOGLD-UHFFFAOYSA-N
- Formula
- C10H13NO3
- SMILES
- CCC(C)c1cccc([N+](=O)[O-])c1O
- 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° | 14.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -218.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.01 | kJ/mol | Joback Calculated Property |
| log10WS | -3.27 | Crippen Calculated Property | |
| logPoct/wat | 2.814 | Crippen Calculated Property | |
| McVol | 151.290 | ml/mol | McGowan Calculated Property |
| Pc | 3488.88 | kPa | Joback Calculated Property |
| Inp | [1395.00; 1395.00] |
|
|
| Inp | 1395.00 | NIST | |
| Inp | 1395.00 | NIST | |
| Tboil | 691.88 | K | Joback Calculated Property |
| Tc | 939.72 | K | Joback Calculated Property |
| Tfus | 481.73 | K | Joback Calculated Property |
| Vc | 0.529 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [405.79; 469.82] | J/mol×K | [691.88; 939.72] |
|
| Cp,gas | 405.79 | J/mol×K | 691.88 | Joback Calculated Property |
| Cp,gas | 418.22 | J/mol×K | 733.19 | Joback Calculated Property |
| Cp,gas | 429.79 | J/mol×K | 774.49 | Joback Calculated Property |
| Cp,gas | 440.63 | J/mol×K | 815.80 | Joback Calculated Property |
| Cp,gas | 450.84 | J/mol×K | 857.11 | Joback Calculated Property |
| Cp,gas | 460.53 | J/mol×K | 898.41 | Joback Calculated Property |
| Cp,gas | 469.82 | J/mol×K | 939.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-(1-methylpropyl)-6-nitro.
Sources
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