- InChI
- InChI=1S/C8H9NO3/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3-4,10H,1-2H3
- InChI Key
- DSWZKAODNLLINU-UHFFFAOYSA-N
- Formula
- C8H9NO3
- SMILES
- Cc1cc([N+](=O)[O-])c(C)cc1O
- Molecular Weight1
- 167.16
- CAS
- 3139-05-7
- 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° | -9.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -182.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.61 | kJ/mol | Joback Calculated Property |
| log10WS | -2.62 | Crippen Calculated Property | |
| logPoct/wat | 1.917 | Crippen Calculated Property | |
| McVol | 123.110 | ml/mol | McGowan Calculated Property |
| Pc | 4305.56 | kPa | Joback Calculated Property |
| Inp | [1622.00; 1701.00] |
|
|
| Inp | 1622.00 | NIST | |
| Inp | 1701.00 | NIST | |
| Inp | 1622.00 | NIST | |
| Tboil | 651.54 | K | Joback Calculated Property |
| Tc | 906.38 | K | Joback Calculated Property |
| Tfus | 486.71 | K | Joback Calculated Property |
| Vc | 0.423 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [306.80; 359.86] | J/mol×K | [651.54; 906.38] |
|
| Cp,gas | 306.80 | J/mol×K | 651.54 | Joback Calculated Property |
| Cp,gas | 317.13 | J/mol×K | 694.01 | Joback Calculated Property |
| Cp,gas | 326.73 | J/mol×K | 736.49 | Joback Calculated Property |
| Cp,gas | 335.71 | J/mol×K | 778.96 | Joback Calculated Property |
| Cp,gas | 344.15 | J/mol×K | 821.43 | Joback Calculated Property |
| Cp,gas | 352.17 | J/mol×K | 863.91 | Joback Calculated Property |
| Cp,gas | 359.86 | J/mol×K | 906.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,5-dimethyl-4-nitro-.
Sources
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