- InChI
- InChI=1S/C11H15NO3/c1-3-8(4-2)9-6-5-7-10(11(9)13)12(14)15/h5-8,13H,3-4H2,1-2H3
- InChI Key
- BSLHOXNSLIQWID-UHFFFAOYSA-N
- Formula
- C11H15NO3
- SMILES
- CCC(CC)c1cccc([N+](=O)[O-])c1O
- Molecular Weight1
- 209.24
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7032 | Relay (1.0) Calculated Property | |
| ΔfG° | 23.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -233.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.204 | Crippen Calculated Property | |
| McVol | 165.380 | ml/mol | McGowan Calculated Property |
| Pc | 3124.49 | kPa | Joback Calculated Property |
| Inp | [1542.00; 1542.00] |
|
|
| Inp | 1542.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Tboil | 548.97 | K | Relay (1.0) Calculated Property |
| Tc | 826.38 | K | Relay (1.0) Calculated Property |
| Tfus | 316.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.551 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [456.33; 524.29] | J/mol×K | [714.76; 957.31] |
|
| Cp,gas | 456.33 | J/mol×K | 714.76 | Joback Calculated Property |
| Cp,gas | 469.42 | J/mol×K | 755.18 | Joback Calculated Property |
| Cp,gas | 481.65 | J/mol×K | 795.61 | Joback Calculated Property |
| Cp,gas | 493.15 | J/mol×K | 836.03 | Joback Calculated Property |
| Cp,gas | 504.02 | J/mol×K | 876.46 | Joback Calculated Property |
| Cp,gas | 514.36 | J/mol×K | 916.88 | Joback Calculated Property |
| Cp,gas | 524.29 | J/mol×K | 957.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-(1-ethylpropyl)-6-nitro.
Sources
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