- InChI
- InChI=1S/H3N/h1H3/i/hD3
- InChI Key
- QGZKDVFQNNGYKY-ZRLBSURWSA-N
- Formula
- D3N
- SMILES
- N
- Molecular Weight1
- 20.05
- CAS
- 84796-14-5
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 | 0.2144 | Relay (1.0) Calculated Property | |
| ΔfG° | -20.02 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -39.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.18 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.162 | Crippen Calculated Property | |
| McVol | 20.840 | ml/mol | McGowan Calculated Property |
| Pc | 11343.47 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 242.16 | K | Relay (1.0) Calculated Property |
| Tc | 405.65 | K | Relay (1.0) Calculated Property |
| Tfus | 194.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.071 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of vaporization at standard conditions, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [38.22; 70.34] | J/mol×K | [298.00; 1300.00] |
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 | 1.85229e+01 | |||
| Coefficient B | 6.98238e+01 | |||
| Coefficient C | -2.79394e+01 | |||
| Coefficient D | 3.73074e+00 | |||
| Coefficient E | 1.12619e-01 | |||
| Reference | Chase, 1998 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 1300.00 | |||
| Cp,gas | 38.22 | J/mol×K | 298.00 | Calculated Property |
| Cp,gas | 43.35 | J/mol×K | 409.33 | Calculated Property |
| Cp,gas | 48.25 | J/mol×K | 520.67 | Calculated Property |
| Cp,gas | 52.72 | J/mol×K | 632.00 | Calculated Property |
| Cp,gas | 56.72 | J/mol×K | 743.33 | Calculated Property |
| Cp,gas | 60.27 | J/mol×K | 854.67 | Calculated Property |
| Cp,gas | 63.38 | J/mol×K | 966.00 | Calculated Property |
| Cp,gas | 66.08 | J/mol×K | 1077.33 | Calculated Property |
| Cp,gas | 68.39 | J/mol×K | 1188.67 | Calculated Property |
| Cp,gas | 70.34 | J/mol×K | 1300.00 | Calculated Property |
| Cp,gas | [70.35; 81.49] | J/mol×K | [1300.00; 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 | 6.56344e+01 | |||
| Coefficient B | 1.20177e+01 | |||
| Coefficient C | -2.60683e+00 | |||
| Coefficient D | 1.75562e-01 | |||
| Coefficient E | -1.16409e+01 | |||
| Reference | Chase, 1998 | |||
| Temperature range, min. | 1300.00 | |||
| Temperature range, max. | 6000.00 | |||
| Cp,gas | 70.35 | J/mol×K | 1300.00 | Calculated Property |
| Cp,gas | 76.43 | J/mol×K | 1822.22 | Calculated Property |
| Cp,gas | 79.63 | J/mol×K | 2344.44 | Calculated Property |
| Cp,gas | 81.38 | J/mol×K | 2866.67 | Calculated Property |
| Cp,gas | 82.24 | J/mol×K | 3388.89 | Calculated Property |
| Cp,gas | 82.50 | J/mol×K | 3911.11 | Calculated Property |
| Cp,gas | 82.38 | J/mol×K | 4433.33 | Calculated Property |
| Cp,gas | 82.06 | J/mol×K | 4955.56 | Calculated Property |
| Cp,gas | 81.71 | J/mol×K | 5477.78 | Calculated Property |
| Cp,gas | 81.49 | J/mol×K | 6000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ammonia-d3.
Sources
- 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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