- InChI
- InChI=1S/C7H7NO3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3
- InChI Key
- KDQPMQNHVQVVMR-UHFFFAOYSA-N
- Formula
- C7H7NO3
- SMILES
- Cc1cc([N+](=O)[O-])ccc1O
- Molecular Weight1
- 153.14
- CAS
- 99-53-6
- Other Names
-
- 2-methyl-4-nitroanisole
- 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° | -8.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.72 | kJ/mol | Joback Calculated Property |
| log10WS | -2.15 | Crippen Calculated Property | |
| logPoct/wat | 1.609 | Crippen Calculated Property | |
| McVol | 109.020 | ml/mol | McGowan Calculated Property |
| Pc | 5008.59 | kPa | Joback Calculated Property |
| Inp | [1571.00; 1665.00] |
|
|
| Inp | 1588.00 | NIST | |
| Inp | 1571.00 | NIST | |
| Inp | 1644.00 | NIST | |
| Inp | 1665.00 | NIST | |
| Inp | 1588.00 | NIST | |
| Tboil | 623.68 | K | Joback Calculated Property |
| Tc | 883.67 | K | Joback Calculated Property |
| Tfus | 462.92 | K | Joback Calculated Property |
| Vc | 0.367 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [262.28; 310.10] | J/mol×K | [623.68; 883.67] |
|
| Cp,gas | 262.28 | J/mol×K | 623.68 | Joback Calculated Property |
| Cp,gas | 271.81 | J/mol×K | 667.01 | Joback Calculated Property |
| Cp,gas | 280.56 | J/mol×K | 710.34 | Joback Calculated Property |
| Cp,gas | 288.66 | J/mol×K | 753.67 | Joback Calculated Property |
| Cp,gas | 296.21 | J/mol×K | 797.01 | Joback Calculated Property |
| Cp,gas | 303.32 | J/mol×K | 840.34 | Joback Calculated Property |
| Cp,gas | 310.10 | J/mol×K | 883.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-methyl-4-nitro-.
Sources
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