- InChI
- InChI=1S/C9H11NO3/c1-6(2)7-3-4-9(11)8(5-7)10(12)13/h3-6,11H,1-2H3
- InChI Key
- QYODOKUESLGDSA-UHFFFAOYSA-N
- Formula
- C9H11NO3
- SMILES
- CC(C)c1ccc(O)c([N+](=O)[O-])c1
- Molecular Weight1
- 181.19
- 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° | 6.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -197.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.78 | kJ/mol | Joback Calculated Property |
| log10WS | -2.86 | Crippen Calculated Property | |
| logPoct/wat | 2.424 | Crippen Calculated Property | |
| McVol | 137.200 | ml/mol | McGowan Calculated Property |
| Pc | 3920.94 | kPa | Joback Calculated Property |
| Inp | 1276.00 | NIST | |
| Tboil | 669.00 | K | Joback Calculated Property |
| Tc | 922.53 | K | Joback Calculated Property |
| Tfus | 470.46 | K | Joback Calculated Property |
| Vc | 0.473 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.64; 416.22] | J/mol×K | [669.00; 922.53] | 
|
| Cp,gas | 356.64 | J/mol×K | 669.00 | Joback Calculated Property |
| Cp,gas | 368.31 | J/mol×K | 711.26 | Joback Calculated Property |
| Cp,gas | 379.13 | J/mol×K | 753.51 | Joback Calculated Property |
| Cp,gas | 389.22 | J/mol×K | 795.77 | Joback Calculated Property |
| Cp,gas | 398.69 | J/mol×K | 838.02 | Joback Calculated Property |
| Cp,gas | 407.65 | J/mol×K | 880.28 | Joback Calculated Property |
| Cp,gas | 416.22 | J/mol×K | 922.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 4-(1-methylethyl)-2-nitro.
Sources
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