Deuterium
- Formula: D2
- Molecular weight: 4.0282035556
- IUPAC Standard InChIKey: UFHFLCQGNIYNRP-VVKOMZTBSA-N
- CAS Registry Number: 7782-39-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: D2; UN 1957
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Phase change data
Go To: Top, Reaction thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Ttriple | 18.73 | K | N/A | McConville and Pavese, 1988 | Uncertainty assigned by TRC = 0.0005 K; for normal D2 Temp. on IPTS-678, reproducible to 0.0002 K |
Ttriple | 18.69 | K | N/A | McConville and Pavese, 1988 | Uncertainty assigned by TRC = 0.0005 K; for equilibrium D2 Temp. on IPTS-678, reproducible to 0.0002 K |
Ttriple | 18.65 | K | N/A | Clusius and Weigand, 1940 | Uncertainty assigned by TRC = 0.2 K; see property X for dP/dT for c-l equil. |
Reaction thermochemistry data
Go To: Top, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 402.30 | kcal/mol | N/A | Shiell, Hu, et al., 2000 | gas phase; exact: 402.258±0.003 kcal/mol at 298K. Acid: D2; B |
ΔrH° | 401.210 ± 0.010 | kcal/mol | D-EA | Lykke, Murray, et al., 1991 | gas phase; Reported: 6086.2±0.6 cm-1. Acid taken as HD -> H+ + D-; B |
ΔrH° | 402.30 | kcal/mol | D-EA | Lykke, Murray, et al., 1991 | gas phase; Acid: D2 -> D- + D+. BDE: 105.98 Gurvich, Veyts, et al.. ΔSacid 22.9; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 394.95 ± 0.11 | kcal/mol | H-TS | Lykke, Murray, et al., 1991 | gas phase; Reported: 6086.2±0.6 cm-1. Acid taken as HD -> H+ + D-; B |
ΔrG° | 395.50 ± 0.10 | kcal/mol | H-TS | Lykke, Murray, et al., 1991 | gas phase; Acid: D2 -> D- + D+. BDE: 105.98 Gurvich, Veyts, et al.. ΔSacid 22.9; B |
By formula: (D3+ • 9D2) + D2 = (D3+ • 10D2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.6 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Hiraoka and Mori, 1989 | gas phase; Entropy change calculated or estimated; M |
By formula: (D3+ • 2D2) + D2 = (D3+ • 3D2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.4 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.0 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (D3+ • 3D2) + D2 = (D3+ • 4D2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.8 ± 0.1 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.2 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (D3+ • 4D2) + D2 = (D3+ • 5D2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.8 ± 0.1 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.1 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (D3+ • 5D2) + D2 = (D3+ • 6D2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.7 ± 0.1 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.8 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (D3+ • 6D2) + D2 = (D3+ • 7D2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.9 ± 0.1 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 12.8 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (D3+ • 7D2) + D2 = (D3+ • 8D2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.8 ± 0.1 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.3 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (D3+ • 8D2) + D2 = (D3+ • 9D2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.7 ± 0.1 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.4 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (D3+ • D2) + D2 = (D3+ • 2D2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.5 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.9 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: D3+ + D2 = (D3+ • D2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.1 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.8 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: Co+ + D2 = (Co+ • D2)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
17.1 (+1.6,-0.) | CID | Haynes and Armentrout, 1996 | gas phase; guided ion beam CID; M |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
McConville and Pavese, 1988
McConville, G.T.; Pavese, F.,
Physicochemical problems involved in measuring thermodynamic properties of normal and equilibrium deuterium at the triple point,
J. Chem. Thermodyn., 1988, 20, 337. [all data]
Clusius and Weigand, 1940
Clusius, K.; Weigand, K.,
Melting Curves of the Gases A, Kr, Xe, CH4, CH3D, CD4, C2H4, C2H6, COS, and PH3 to 200 Atmospheres Pressure. The Chane of Volume on Melting,
Z. Phys. Chem., Abt. B, 1940, 46, 1-37. [all data]
Shiell, Hu, et al., 2000
Shiell, R.C.; Hu, X.K.; Hu, Q.C.J.; Hepburn, J.W.,
Threshold Ion-pair Production spectroscopy (TIPPS) of H2 and D2,
Faraday Disc. Chem. Soc., 2000, 115, 331, https://doi.org/10.1039/a909428h
. [all data]
Lykke, Murray, et al., 1991
Lykke, K.R.; Murray, K.K.; Lineberger, W.C.,
Threshold Photodetachment of H-,
Phys. Rev. A, 1991, 43, 11, 6104, https://doi.org/10.1103/PhysRevA.43.6104
. [all data]
Gurvich, Veyts, et al.
Gurvich, L.V.; Veyts, I.V.; Alcock, C.B.,
Hemisphere Publishing, NY, 1989, V. 1 2, Thermodynamic Properties of Individual Substances, 4th Ed. [all data]
Hiraoka and Mori, 1989
Hiraoka, K.; Mori, T.,
Thermochemical Stabilities of D3+(D2)n with n = 1 - 10,
Chem. Phys. Lett., 1989, 157, 5, 467, https://doi.org/10.1016/0009-2614(89)87282-3
. [all data]
Haynes and Armentrout, 1996
Haynes, C.L.; Armentrout, P.B.,
Guided Ion Beam Determination of the Co+ - H2 Bond Dissociation energy,
Chem Phys. Let., 1996, 249, 1-2, 64, https://doi.org/10.1016/0009-2614(95)01337-7
. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
T Temperature Ttriple Triple point temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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