- InChI
- InChI=1S/C11H9NO2/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h2-7H,1H3
- InChI Key
- IZNWACYOILBFEG-UHFFFAOYSA-N
- Formula
- C11H9NO2
- SMILES
- Cc1ccc2ccccc2c1[N+](=O)[O-]
- Molecular Weight1
- 187.19
- CAS
- 881-03-8
- Other Names
-
- 1-Nitro-2-methylnaphthalene
- 2-Methyl-1-nitronaphthalene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| EA | 1.03 ± 0.10 | eV | NIST |
| ΔfG° | 277.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 123.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.91 | kJ/mol | Joback Calculated Property |
| log10WS | -4.27 | Aq. Sol... | |
| logPoct/wat | 3.056 | Crippen Calculated Property | |
| McVol | 140.050 | ml/mol | McGowan Calculated Property |
| Pc | 3395.98 | kPa | Joback Calculated Property |
| Inp | [272.09; 278.74] |
|
|
| Inp | 278.74 | NIST | |
| Inp | 278.45 | NIST | |
| Inp | Outlier 272.09 | NIST | |
| Inp | 278.52 | NIST | |
| Inp | 276.89 | NIST | |
| Inp | 275.80 | NIST | |
| Inp | 278.74 | NIST | |
| Tboil | 658.54 | K | Joback Calculated Property |
| Tc | 920.40 | K | Joback Calculated Property |
| Tfus | 354.65 | K | Aq. Sol... |
| Vc | 0.547 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.19; 404.07] | J/mol×K | [658.54; 920.40] |
|
| Cp,gas | 343.19 | J/mol×K | 658.54 | Joback Calculated Property |
| Cp,gas | 355.61 | J/mol×K | 702.18 | Joback Calculated Property |
| Cp,gas | 366.99 | J/mol×K | 745.83 | Joback Calculated Property |
| Cp,gas | 377.43 | J/mol×K | 789.47 | Joback Calculated Property |
| Cp,gas | 387.03 | J/mol×K | 833.11 | Joback Calculated Property |
| Cp,gas | 395.87 | J/mol×K | 876.76 | Joback Calculated Property |
| Cp,gas | 404.07 | J/mol×K | 920.40 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 458.70 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to Naphthalene, 2-methyl-1-nitro-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.