- InChI
- InChI=1S/H2/h1H/i1+1
- InChI Key
- UFHFLCQGNIYNRP-OUBTZVSYSA-N
- Formula
- H2
- SMILES
- [H][2H]
- Molecular Weight1
- 3.02
- CAS
- 13983-20-5
- Other Names
-
- Hydrogen deuteride
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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).
- Tc : Critical Temperature (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 0.32 | kJ/mol | Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value |
| ΔfusH° | -0.88 | kJ/mol | Joback Calculated Property |
| IE | [15.44; 15.46] | eV |
|
| IE | 15.44 | eV | NIST |
| IE | 15.44 | eV | NIST |
| IE | 15.44 ± 0.00 | eV | NIST |
| IE | 15.46 | eV | NIST |
| logPoct/wat | 0.246 | Crippen Calculated Property | |
| McVol | 10.860 | ml/mol | McGowan Calculated Property |
| Pc | 1479.35 | kPa | Mathews (1972), critical constants of inorganic substances Compiled value |
| Tc | 36.00 | K | Mathews (1972), critical constants of inorganic substances Compiled value |
| Ttriple | 16.60 ± 0.20 | K | NIST |
| Vc | 0.063 | m3/kmol | Mathews (1972), critical constants of inorganic substances Compiled value |
| Zc | 0.3100000 | Mathews (1972), critical constants of inorganic substances Compiled value |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 | [29.20; 30.71] | J/mol×K | [298.00; 1000.00] |
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 | 3.12499e+01 | |||
| Coefficient B | -7.58919e+00 | |||
| Coefficient C | 9.01137e+00 | |||
| Coefficient D | -1.91441e+00 | |||
| Coefficient E | -4.77930e-02 | |||
| Reference | Chase, 1998 | |||
| Comment | F=-8.896315, G=183.2291, H=0.320000; Data last reviewed in June, 1977 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 29.20 | J/mol×K | 298.00 | Calculated Property |
| Cp,gas | 29.23 | J/mol×K | 376.00 | Calculated Property |
| Cp,gas | 29.25 | J/mol×K | 454.00 | Calculated Property |
| Cp,gas | 29.31 | J/mol×K | 532.00 | Calculated Property |
| Cp,gas | 29.41 | J/mol×K | 610.00 | Calculated Property |
| Cp,gas | 29.57 | J/mol×K | 688.00 | Calculated Property |
| Cp,gas | 29.78 | J/mol×K | 766.00 | Calculated Property |
| Cp,gas | 30.05 | J/mol×K | 844.00 | Calculated Property |
| Cp,gas | 30.36 | J/mol×K | 922.00 | Calculated Property |
| Cp,gas | 30.71 | J/mol×K | 1000.00 | Calculated Property |
| Cp,gas | [30.55; 42.47] | J/mol×K | [1000.00; 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 | 2.82230e+01 | |||
| Coefficient B | 4.57537e+00 | |||
| Coefficient C | -5.51669e-01 | |||
| Coefficient D | 3.10380e-02 | |||
| Coefficient E | -1.73228e+00 | |||
| Reference | Chase, 1998 | |||
| Comment | F=-10.94434, G=174.3448, H=0.320000; Data last reviewed in June, 1977 | |||
| Temperature range, min. | 1000.00 | |||
| Temperature range, max. | 6000.00 | |||
| Cp,gas | 30.55 | J/mol×K | 1000.00 | Calculated Property |
| Cp,gas | 33.41 | J/mol×K | 1555.56 | Calculated Property |
| Cp,gas | 35.33 | J/mol×K | 2111.11 | Calculated Property |
| Cp,gas | 36.85 | J/mol×K | 2666.67 | Calculated Property |
| Cp,gas | 38.11 | J/mol×K | 3222.22 | Calculated Property |
| Cp,gas | 39.19 | J/mol×K | 3777.78 | Calculated Property |
| Cp,gas | 40.12 | J/mol×K | 4333.33 | Calculated Property |
| Cp,gas | 40.96 | J/mol×K | 4888.89 | Calculated Property |
| Cp,gas | 41.73 | J/mol×K | 5444.44 | Calculated Property |
| Cp,gas | 42.47 | J/mol×K | 6000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to deuterium hydride.
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.
- Mathews (1972), critical constants of inorganic substances ChEDL chemicals 1.5.2, from Mathews, J. F. Critical Constants of Inorganic Substances. Chem. Rev. 1972, 72, 71-100.
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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