- InChI
- InChI=1S/H2/h1H/i1+1D
- InChI Key
- UFHFLCQGNIYNRP-VVKOMZTBSA-N
- Formula
- H2
- SMILES
- [2H][2H]
- Molecular Weight1
- 4.03
- CAS
- 7782-39-0
- Other Names
-
- D2
- UN 1957
- deuterium, diatomic
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Ttriple : Triple Point Temperature (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 | -0.1300 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ΔfusH° | -0.88 | kJ/mol | Joback Calculated Property |
| IE | [15.43; 15.50] | eV |
|
| IE | 15.47 | eV | NIST |
| IE | 15.47 ± 0.00 | eV | NIST |
| IE | 15.47 ± 0.00 | eV | NIST |
| IE | Outlier 15.43 ± 0.01 | eV | NIST |
| IE | 15.47 ± 0.02 | eV | NIST |
| IE | 15.47 | eV | NIST |
| IE | 15.46 ± 0.01 | eV | NIST |
| IE | 15.50 | eV | NIST |
| logPoct/wat | 0.246 | Crippen Calculated Property | |
| McVol | 10.860 | ml/mol | McGowan Calculated Property |
| Pc | [1660.00; 1661.73] | kPa |
|
| Pc | 1661.73 | kPa | Mathews (1972), critical constants of inorganic substances Compiled value |
| Pc | 1660.00 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tboil | 236.54 | K | KDB |
| Tc | [38.40; 38.40] | K |
|
| Tc | 38.40 | K | Mathews (1972), critical constants of inorganic substances Compiled value |
| Tc | 38.40 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Ttriple | [18.65; 18.73] | K |
|
| Ttriple | 18.73 ± 0.00 | K | NIST |
| Ttriple | 18.69 ± 0.00 | K | NIST |
| Ttriple | 18.65 ± 0.20 | K | NIST |
| Vc | 0.060 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
Cheméo can also estimate Normal melting (fusion) point, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, 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 | [29.19; 31.64] | 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 | 3.26845e+01 | |||
| Coefficient B | -1.48413e+01 | |||
| Coefficient C | 2.10649e+01 | |||
| Coefficient D | -7.20463e+00 | |||
| Coefficient E | -6.65340e-02 | |||
| Reference | Chase, 1998 | |||
| Comment | F=-9.480583, G=187.691048, H=0.0; Data last reviewed in March, 1977; New parameter fit October 2001 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 29.19 | J/mol×K | 298.00 | Calculated Property |
| Cp,gas | 29.23 | J/mol×K | 376.00 | Calculated Property |
| Cp,gas | 29.29 | J/mol×K | 454.00 | Calculated Property |
| Cp,gas | 29.43 | J/mol×K | 532.00 | Calculated Property |
| Cp,gas | 29.66 | J/mol×K | 610.00 | Calculated Property |
| Cp,gas | 29.96 | J/mol×K | 688.00 | Calculated Property |
| Cp,gas | 30.32 | J/mol×K | 766.00 | Calculated Property |
| Cp,gas | 30.74 | J/mol×K | 844.00 | Calculated Property |
| Cp,gas | 31.18 | J/mol×K | 922.00 | Calculated Property |
| Cp,gas | 31.64 | J/mol×K | 1000.00 | Calculated Property |
| Cp,gas | [31.63; 37.20] | J/mol×K | [1000.00; 2500.00] |
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 | 2.01230e+01 | |||
| Coefficient B | 1.50238e+01 | |||
| Coefficient C | -4.77697e+00 | |||
| Coefficient D | 5.93203e-01 | |||
| Coefficient E | 6.70912e-01 | |||
| Reference | Chase, 1998 | |||
| Comment | F=-4.449853, G=168.515874, H=0.0; Data last reviewed in March, 1977; New parameter fit October 2001 | |||
| Temperature range, min. | 1000.00 | |||
| Temperature range, max. | 2500.00 | |||
| Cp,gas | 31.63 | J/mol×K | 1000.00 | Calculated Property |
| Cp,gas | 32.58 | J/mol×K | 1166.67 | Calculated Property |
| Cp,gas | 33.45 | J/mol×K | 1333.33 | Calculated Property |
| Cp,gas | 34.21 | J/mol×K | 1500.00 | Calculated Property |
| Cp,gas | 34.88 | J/mol×K | 1666.67 | Calculated Property |
| Cp,gas | 35.47 | J/mol×K | 1833.33 | Calculated Property |
| Cp,gas | 35.98 | J/mol×K | 2000.00 | Calculated Property |
| Cp,gas | 36.43 | J/mol×K | 2166.67 | Calculated Property |
| Cp,gas | 36.83 | J/mol×K | 2333.33 | Calculated Property |
| Cp,gas | 37.20 | J/mol×K | 2500.00 | Calculated Property |
| Cp,gas | [37.20; 42.25] | J/mol×K | [2500.00; 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 | 4.67872e+01 | |||
| Coefficient B | -5.55203e+00 | |||
| Coefficient C | 1.45107e+00 | |||
| Coefficient D | -1.06099e-01 | |||
| Coefficient E | -1.95215e+01 | |||
| Reference | Chase, 1998 | |||
| Comment | F=-40.496576, G=178.087513, H=0.0; Data last reviewed in March, 1977; New parameter fit October 2001 | |||
| Temperature range, min. | 2500.00 | |||
| Temperature range, max. | 6000.00 | |||
| Cp,gas | 37.20 | J/mol×K | 2500.00 | Calculated Property |
| Cp,gas | 37.96 | J/mol×K | 2888.89 | Calculated Property |
| Cp,gas | 38.63 | J/mol×K | 3277.78 | Calculated Property |
| Cp,gas | 39.26 | J/mol×K | 3666.67 | Calculated Property |
| Cp,gas | 39.87 | J/mol×K | 4055.56 | Calculated Property |
| Cp,gas | 40.47 | J/mol×K | 4444.44 | Calculated Property |
| Cp,gas | 41.04 | J/mol×K | 4833.33 | Calculated Property |
| Cp,gas | 41.54 | J/mol×K | 5222.22 | Calculated Property |
| Cp,gas | 41.96 | J/mol×K | 5611.11 | Calculated Property |
| Cp,gas | 42.25 | J/mol×K | 6000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [17.19; 1663.26] | kPa | [18.73; 38.35] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.25267e+01 | |||
| Coefficient B | -2.12329e+02 | |||
| Coefficient C | 3.20000e+00 | |||
| Temperature range, min. | 18.73 | |||
| Temperature range, max. | 38.35 | |||
| Pvap | 17.19 | kPa | 18.73 | Calculated Property |
| Pvap | 41.27 | kPa | 20.91 | Calculated Property |
| Pvap | 85.65 | kPa | 23.09 | Calculated Property |
| Pvap | 158.98 | kPa | 25.27 | Calculated Property |
| Pvap | 270.21 | kPa | 27.45 | Calculated Property |
| Pvap | 428.04 | kPa | 29.63 | Calculated Property |
| Pvap | 640.29 | kPa | 31.81 | Calculated Property |
| Pvap | 913.64 | kPa | 33.99 | Calculated Property |
| Pvap | 1253.34 | kPa | 36.17 | Calculated Property |
| Pvap | 1663.26 | kPa | 38.35 | Calculated Property |
| Pvap | [20.81; 148.78] | kPa | [19.15; 25.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.12815e+01 | |||
| Coefficient B | -1.57895e+02 | |||
| Coefficient C | -3.01247e-04 | |||
| Coefficient D | 1.05352e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 19.15 | |||
| Temperature range, max. | 25.15 | |||
| Pvap | 20.81 | kPa | 19.15 | Calculated Property |
| Pvap | 27.46 | kPa | 19.82 | Calculated Property |
| Pvap | 35.59 | kPa | 20.48 | Calculated Property |
| Pvap | 45.38 | kPa | 21.15 | Calculated Property |
| Pvap | 57.01 | kPa | 21.82 | Calculated Property |
| Pvap | 70.66 | kPa | 22.48 | Calculated Property |
| Pvap | 86.49 | kPa | 23.15 | Calculated Property |
| Pvap | 104.69 | kPa | 23.82 | Calculated Property |
| Pvap | 125.40 | kPa | 24.48 | Calculated Property |
| Pvap | 148.78 | kPa | 25.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Deuterium.
Mixtures
Sources
- KDB Vapor Pressure Data
- 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.
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Crippen Method
- Crippen Method
- Solubilities of gases in cycloethers. The solubility of 13 nonpolar gases in 2,5-dimethyltetrahydrofuran at 273.15 to 303.15 K and 101.32 kPa
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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