- InChI
- InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
- InChI Key
- RJKGJBPXVHTNJL-UHFFFAOYSA-N
- Formula
- C10H7NO2
- SMILES
- O=[N+]([O-])c1cccc2ccccc12
- Molecular Weight1
- 173.17
- CAS
- 86-57-7
- Other Names
-
- 1-Nitronaftalen
- 1-Nitronaphthalene
- 1-Nitronapthalene
- NCI-C01956
- Nitrol
- Nitrol (pesticide)
- «alpha»-Nitronaphthalene
- «alpha»-Nitronaphthalene
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Psub : Sublimation 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 |
|---|---|---|---|
| ΔcH°solid | [-4981.26; -4978.50] | kJ/mol |
|
| ΔcH°solid | -4978.50 | kJ/mol | NIST |
| ΔcH°solid | -4981.26 | kJ/mol | NIST |
| EA | [1.23; 1.24] | eV |
|
| EA | 1.23 ± 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 |
| ΔfH°solid | 45.73 | kJ/mol | NIST |
| ΔfusH° | 23.69 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 95.10 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 59.02 | kJ/mol | Joback Calculated Property |
| IE | [8.59; 8.60] | eV |
|
| IE | 8.59 | eV | NIST |
| IE | 8.60 ± 0.01 | eV | NIST |
| log10WS | [-3.59; -3.54] |
|
|
| log10WS | -3.59 | Aq. Sol... | |
| log10WS | -3.54 | Estimat... | |
| logPoct/wat | 2.748 | Crippen Calculated Property | |
| McVol | 125.960 | ml/mol | McGowan Calculated Property |
| Pc | 3881.95 | kPa | Joback Calculated Property |
| Inp | [266.70; 1618.00] |
|
|
| Inp | 1615.66 | NIST | |
| Inp | 1615.84 | NIST | |
| Inp | 1597.00 | NIST | |
| Inp | 1610.84 | NIST | |
| Inp | 1612.87 | NIST | |
| Inp | 1586.00 | NIST | |
| Inp | 1589.00 | NIST | |
| Inp | 1618.00 | NIST | |
| Inp | 1597.00 | NIST | |
| Inp | 274.40 | NIST | |
| Inp | 274.18 | NIST | |
| Inp | 266.70 | NIST | |
| Inp | 274.07 | NIST | |
| Inp | 272.40 | NIST | |
| Inp | 274.95 | NIST | |
| Inp | 273.00 | NIST | |
| Inp | 274.00 | NIST | |
| Inp | 1615.66 | NIST | |
| Inp | 1618.00 | NIST | |
| Inp | 1597.00 | NIST | |
| Inp | 273.00 | NIST | |
| Tboil | 577.20 | K | NIST |
| Tc | 898.12 | K | Joback Calculated Property |
| Tfus | [327.70; 332.98] | K |
|
| Tfus | 332.98 | K | Aq. Sol... |
| Tfus | 327.70 ± 0.40 | K | NIST |
| Tfus | 329.39 ± 3.00 | K | NIST |
| Tfus | 330.00 ± 1.00 | K | NIST |
| 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] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 300 310 320 330 340 350 700 800 900 | ||||
| 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 | [17.30; 18.43] | kJ/mol | [328.90; 329.90] |
|
| ΔfusH | 17.30 | kJ/mol | 328.90 | NIST |
| ΔfusH | 18.43 | kJ/mol | 329.90 | NIST |
| ΔfusH | 18.43 | kJ/mol | 329.90 | NIST |
| ΔsubH | [68.50; 106.90] | kJ/mol | [283.00; 328.50] |
|
| ΔsubH | 68.50 ± 1.90 | kJ/mol | 283.00 | NIST |
| ΔsubH | 94.40 ± 0.40 | kJ/mol | 313.00 | NIST |
| ΔsubH | 106.90 | kJ/mol | 328.50 | NIST |
| ΔvapH | 66.40 | kJ/mol | 456.00 | NIST |
| Psub | [1.73e-04; 1.13e-03] | kPa | [305.14; 321.14] |
|
|
T(K) Sublimation pressure (kPa) 2.00e-4 4.00e-4 6.00e-4 8.00e-4 1.00e-3 1.20e-3 305 310 315 320 | ||||
| Psub | 1.74e-04 | kPa | 305.14 | Thermoc... |
| Psub | 1.74e-04 | kPa | 305.14 | Thermoc... |
| Psub | 1.73e-04 | kPa | 305.14 | Thermoc... |
| Psub | 2.25e-04 | kPa | 307.15 | Thermoc... |
| Psub | 2.21e-04 | kPa | 307.15 | Thermoc... |
| Psub | 2.18e-04 | kPa | 307.15 | Thermoc... |
| Psub | 2.78e-04 | kPa | 309.16 | Thermoc... |
| Psub | 2.81e-04 | kPa | 309.16 | Thermoc... |
| Psub | 2.82e-04 | kPa | 309.16 | Thermoc... |
| Psub | 3.52e-04 | kPa | 311.15 | Thermoc... |
| Psub | 3.56e-04 | kPa | 311.15 | Thermoc... |
| Psub | 3.53e-04 | kPa | 311.15 | Thermoc... |
| Psub | 4.63e-04 | kPa | 313.15 | Thermoc... |
| Psub | 4.53e-04 | kPa | 313.15 | Thermoc... |
| Psub | 4.57e-04 | kPa | 313.15 | Thermoc... |
| Psub | 5.80e-04 | kPa | 315.13 | Thermoc... |
| Psub | 5.72e-04 | kPa | 315.13 | Thermoc... |
| Psub | 5.74e-04 | kPa | 315.13 | Thermoc... |
| Psub | 6.97e-04 | kPa | 317.13 | Thermoc... |
| Psub | 7.02e-04 | kPa | 317.13 | Thermoc... |
| Psub | 6.95e-04 | kPa | 317.13 | Thermoc... |
| Psub | 8.75e-04 | kPa | 319.17 | Thermoc... |
| Psub | 8.96e-04 | kPa | 319.17 | Thermoc... |
| Psub | 8.80e-04 | kPa | 319.17 | Thermoc... |
| Psub | 1.13e-03 | kPa | 321.14 | Thermoc... |
| Psub | 1.11e-03 | kPa | 321.14 | Thermoc... |
| Psub | 1.11e-03 | kPa | 321.14 | Thermoc... |
Similar Compounds
Find more compounds similar to Naphthalene, 1-nitro-.
Sources
- Crippen Method
- Thermochemistry of nitronaphthalenes and nitroanthracenes
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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