- InChI
- InChI=1S/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
- InChI Key
- ZJYJZEAJZXVAMF-UHFFFAOYSA-N
- Formula
- C10H7NO2
- SMILES
- O=[N+]([O-])c1ccc2ccccc2c1
- Molecular Weight1
- 173.17
- CAS
- 581-89-5
- Other Names
-
- 2-Nitronaphthalene
- «beta»-Nitronaphthalene
- «beta»-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).
- ΔfusH : Enthalpy of fusion at a given temperature (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 |
|---|---|---|---|
| EA | [1.18; 1.24] | eV |
|
| EA | 1.18 ± 0.10 | eV | NIST |
| EA | 1.24 ± 0.05 | eV | NIST |
| ΔfG° | 278.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 155.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.02 | kJ/mol | Joback Calculated Property |
| IE | [8.63; 8.67] | eV |
|
| IE | 8.63 | eV | NIST |
| IE | 8.67 ± 0.01 | eV | NIST |
| log10WS | -3.82 | Aq. Sol... | |
| logPoct/wat | 2.748 | Crippen Calculated Property | |
| McVol | 125.960 | ml/mol | McGowan Calculated Property |
| Pc | 3881.95 | kPa | Joback Calculated Property |
| Inp | [275.21; 1672.00] |
|
|
| Inp | 1635.00 | NIST | |
| Inp | 1672.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 1656.00 | NIST | |
| Inp | 1639.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 280.32 | NIST | |
| Inp | 275.21 | NIST | |
| Inp | 280.06 | NIST | |
| Inp | 278.91 | NIST | |
| Inp | 280.63 | NIST | |
| Inp | 279.20 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 280.32 | NIST | |
| Inp | 1635.00 | NIST | |
| Inp | 1656.00 | NIST | |
| Inp | 279.20 | NIST | |
| Inp | 1639.00 | NIST | |
| Tboil | 630.68 | K | Joback Calculated Property |
| Tc | 898.12 | K | Joback Calculated Property |
| Tfus | 417.71 | K | Joback Calculated Property |
| Vc | 0.491 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [297.11; 353.89] | J/mol×K | [630.68; 898.12] |
|
| Cp,gas | 297.11 | J/mol×K | 630.68 | Joback Calculated Property |
| Cp,gas | 308.94 | J/mol×K | 675.25 | Joback Calculated Property |
| Cp,gas | 319.67 | J/mol×K | 719.83 | Joback Calculated Property |
| Cp,gas | 329.43 | J/mol×K | 764.40 | Joback Calculated Property |
| Cp,gas | 338.30 | J/mol×K | 808.97 | Joback Calculated Property |
| Cp,gas | 346.42 | J/mol×K | 853.54 | Joback Calculated Property |
| Cp,gas | 353.89 | J/mol×K | 898.12 | Joback Calculated Property |
| ΔfusH | 14.50 | kJ/mol | 348.20 | NIST |
Similar Compounds
Find more compounds similar to Naphthalene, 2-nitro-.
Sources
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