- InChI
- InChI=1S/NO3/c2-1(3)4
- InChI Key
- YPJKMVATUPSWOH-UHFFFAOYSA-N
- Formula
- NO3
- SMILES
- [O][N+](=O)[O-]
- Molecular Weight1
- 62.00
- CAS
- 12033-49-7
- Other Names
-
- Nitroxyl
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4387 | Relay (1.0) Calculated Property | |
| EA | [3.70; 3.94] | eV |
|
| EA | 3.94 ± 0.01 | eV | NIST |
| EA | 3.94 ± 0.02 | eV | NIST |
| EA | 3.70 ± 0.20 | eV | NIST |
| ΔfG° | 38.18 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 74.09 ± 0.19 | kJ/mol | Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value |
| ΔvapH° | 33.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 12.57 ± 0.03 | eV | NIST |
| log10WS | 0.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.391 | Crippen Calculated Property | |
| McVol | 32.000 | ml/mol | McGowan Calculated Property |
| Pc | 7240.00 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 312.14 | K | Relay (1.0) Calculated Property |
| Tc | 510.35 | K | Relay (1.0) Calculated Property |
| Tfus | 209.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.137 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [46.89; 77.58] | J/mol×K | [298.00; 1100.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.12232e+01 | |||
| Coefficient B | 1.66389e+02 | |||
| Coefficient C | -1.48446e+02 | |||
| Coefficient D | 4.74060e+01 | |||
| Coefficient E | -1.76791e-01 | |||
| Reference | Chase, 1998 | |||
| Comment | F=61.00858, G=221.7679, H=71.12800; Data last reviewed in December, 1964 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 1100.00 | |||
| Cp,gas | 46.89 | J/mol×K | 298.00 | Calculated Property |
| Cp,gas | 54.96 | J/mol×K | 387.11 | Calculated Property |
| Cp,gas | 61.14 | J/mol×K | 476.22 | Calculated Property |
| Cp,gas | 65.86 | J/mol×K | 565.33 | Calculated Property |
| Cp,gas | 69.41 | J/mol×K | 654.44 | Calculated Property |
| Cp,gas | 72.04 | J/mol×K | 743.56 | Calculated Property |
| Cp,gas | 73.96 | J/mol×K | 832.67 | Calculated Property |
| Cp,gas | 75.39 | J/mol×K | 921.78 | Calculated Property |
| Cp,gas | 76.53 | J/mol×K | 1010.89 | Calculated Property |
| Cp,gas | 77.58 | J/mol×K | 1100.00 | Calculated Property |
| Cp,gas | [77.52; 82.95] | J/mol×K | [1100.00; 6000.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 8.22742e+01 | |||
| Coefficient B | 4.87106e-01 | |||
| Coefficient C | -9.87690e-02 | |||
| Coefficient D | 6.85300e-03 | |||
| Coefficient E | -6.26495e+00 | |||
| Reference | Chase, 1998 | |||
| Comment | F=29.22311, G=326.2528, H=71.12800; Data last reviewed in December, 1964 | |||
| Temperature range, min. | 1100.00 | |||
| Temperature range, max. | 6000.00 | |||
| Cp,gas | 77.52 | J/mol×K | 1100.00 | Calculated Property |
| Cp,gas | 80.52 | J/mol×K | 1644.44 | Calculated Property |
| Cp,gas | 81.63 | J/mol×K | 2188.89 | Calculated Property |
| Cp,gas | 82.17 | J/mol×K | 2733.33 | Calculated Property |
| Cp,gas | 82.47 | J/mol×K | 3277.78 | Calculated Property |
| Cp,gas | 82.65 | J/mol×K | 3822.22 | Calculated Property |
| Cp,gas | 82.76 | J/mol×K | 4366.67 | Calculated Property |
| Cp,gas | 82.84 | J/mol×K | 4911.11 | Calculated Property |
| Cp,gas | 82.89 | J/mol×K | 5455.56 | Calculated Property |
| Cp,gas | 82.95 | J/mol×K | 6000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Nitrogen trioxide.
Sources
- Active Thermochemical Tables 1.112, gas-phase enthalpies of formation ChEDL chemicals 1.5.2, from Active Thermochemical Tables (ATcT), version 1.112, Argonne National Laboratory; Ruscic, B. et al. Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys.: Conf. Ser. 2005, 16, 561.
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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