Deuterium oxide
- Formula: D2O
- Molecular weight: 20.0276
- IUPAC Standard InChIKey: XLYOFNOQVPJJNP-ZSJDYOACSA-N
- CAS Registry Number: 7789-20-0
- Chemical structure:
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Phase change data
Go To: Top, Gas phase ion energetics 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 276.97 | K | N/A | Steckel and Szapiro, 1963 | Uncertainty assigned by TRC = 0.03 K; TRC |
Tfus | 276.97 | K | N/A | Taylor and Selwood, 1934 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 643.89 | K | N/A | Aleksandrov, 1986 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tc | 643.89 | K | N/A | Sifner, 1985 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tc | 0. | K | N/A | Riesenfeld and Chang, 1935 | TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 213.88 | atm | N/A | Aleksandrov, 1986 | Uncertainty assigned by TRC = 0.69 atm; TRC |
Pc | 213.88 | atm | N/A | Sifner, 1985 | Uncertainty assigned by TRC = 0.15 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 17.8 | mol/l | N/A | Aleksandrov, 1986 | Uncertainty assigned by TRC = 0.2 mol/l; TRC |
ρc | 17.8 | mol/l | N/A | Sifner, 1985 | Uncertainty assigned by TRC = 0.2 mol/l; TRC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
379. to 573. | 5.14536 | 1700.073 | -44.013 | Liu and Lindsay, 1970 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
12.6395 ± 0.0003 | PE | Reutt, Wang, et al., 1986 | LBLHLM |
12.65 ± 0.03 | EI | Lefaivre and Marmet, 1978 | LLK |
12.637 | S | Gurtler, Saile, et al., 1977 | LLK |
12.639 | PE | Botter and Carlier, 1977 | LLK |
12.637 | PE | Dixon, Duxbury, et al., 1976 | LLK |
12.633 ± 0.001 | PE | Karlsson, Mattson, et al., 1975 | LLK |
12.633 ± 0.001 | PE | Bergmark, Karlsson, et al., 1974 | LLK |
12.636 ± 0.006 | S | Katayama, Huffman, et al., 1973 | LLK |
12.633 | PE | Asbrink and Rabalais, 1971 | LLK |
12.62 ± 0.01 | PE | Brundle and Turner, 1968 | RDSH |
13.7 | PE | Brundle and Turner, 1968 | RDSH |
17.26 | PE | Brundle and Turner, 1968 | RDSH |
12.637 ± 0.005 | PI | Brehm, 1966 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
D+ | 18.75 ± 0.05 | OD | PE | Eland, 1974 | LLK |
D+ | 18.7 ± 0.05 | OD(X2P) | EI | Appell and Durup, 1973 | LLK |
OD+ | 18.219 ± 0.008 | D | PI | McCulloh, 1976 | LLK |
OD+ | 18.19 ± 0.03 | D | PE | Eland, 1974 | LLK |
O+ | 29.3 ± 0.3 | 2D? | EI | Cottin, 1959 | RDSH |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Steckel and Szapiro, 1963
Steckel, F.; Szapiro, S.,
Physical Prop. of Heavy Oxygen Water Part 1. Density and Thermal Expansion,
Trans. Faraday Soc., 1963, 59, 331-43. [all data]
Taylor and Selwood, 1934
Taylor, H.S.; Selwood, P.W.,
Some Properties of Heavy Water,
J. Am. Chem. Soc., 1934, 56, 998. [all data]
Aleksandrov, 1986
Aleksandrov, A.A.,
Critical Parameters of Ordinary and Heavy Water,
Teploenergetika, 1986, No. 1, 74. [all data]
Sifner, 1985
Sifner, O.,
Recommended Values of Critical Parameters of Ordinary and Heavy Water,
Chem. Listy, 1985, 79, 199. [all data]
Riesenfeld and Chang, 1935
Riesenfeld, E.H.; Chang, T.L.,
The Critical Data of Light and Heavy Water and the Density-Temperature Diagrams.,
Z. Phys. Chem., Abt. B, 1935, 30, 61-8. [all data]
Liu and Lindsay, 1970
Liu, C.-T.; Lindsay, W.T., Jr.,
Vapor Pressure of D2O from 106 to 300 ºC,
J. Chem. Eng. Data, 1970, 15, 4, 510-513, https://doi.org/10.1021/je60047a015
. [all data]
Reutt, Wang, et al., 1986
Reutt, J.E.; Wang, L.S.; Lee, Y.T.; Shirley, D.A.,
Molecular beam photoelectron spectroscopy and femtosecond intramolecular dynamics of H2O+ and D2O+,
J. Chem. Phys., 1986, 85, 6928. [all data]
Lefaivre and Marmet, 1978
Lefaivre, D.; Marmet, P.,
Electroionization of D2O and H2O and study of fragments H+ and OH+,
Can. J. Phys., 1978, 56, 1549. [all data]
Gurtler, Saile, et al., 1977
Gurtler, P.; Saile, V.; Koch, E.E.,
Rydberg series in the absorption spectra of H2O and D2O in the vacuum ultraviolet,
Chem. Phys. Lett., 1977, 51, 386. [all data]
Botter and Carlier, 1977
Botter, R.; Carlier, J.,
Spectre de photoelectrons et calcul des facteurs de Franck-Condon pour H2O, D2O, HDO,
J. Electron Spectrosc. Relat. Phenom., 1977, 12, 55. [all data]
Dixon, Duxbury, et al., 1976
Dixon, R.N.; Duxbury, G.; Rabalais, J.W.; Asbrink, L.,
Rovibronic structure in the photoelectron spectra of H2O, D2O and HDO,
Mol. Phys., 1976, 31, 423. [all data]
Karlsson, Mattson, et al., 1975
Karlsson, L.; Mattson, L.; Jadrny, R.; Albridge, R.G.; Pinchas, S.; Bergmark, T.; Siegbahn, K.,
Isotopic and vibronic coupling effects in the valence electron spectra of H216O, H218O, and D216O,
J. Chem. Phys., 1975, 62, 4745. [all data]
Bergmark, Karlsson, et al., 1974
Bergmark, T.; Karlsson, L.; Jadrny, R.; Mattsson, L.; Albridge, R.G.; Siegbahn, K.,
Isotopic effects in the electron spectra of H216O, H218O, and D216O,
J. Electron Spectrosc. Relat. Phenom., 1974, 4, 85. [all data]
Katayama, Huffman, et al., 1973
Katayama, D.H.; Huffman, R.E.; O'Bryan, C.L.,
Absorption and photoionization cross sections for H2O and D2O in the vacuum ultraviolet,
J. Chem. Phys., 1973, 59, 4309. [all data]
Asbrink and Rabalais, 1971
Asbrink, L.; Rabalais, J.W.,
Comments on the high resolution photoelectron spectrum of H2O and D2O,
Chem. Phys. Lett., 1971, 12, 182. [all data]
Brundle and Turner, 1968
Brundle, C.R.; Turner, D.W.,
High resolution molecular photoelectron spectroscopy. II.Water and deuterium oxide,
Proc. Roy. Soc. (London), 1968, A307, 27. [all data]
Brehm, 1966
Brehm, B.,
Massenspektrometrische Untersuchung der Photoionisation von Molekulen,
Z. Naturforsch., 1966, 21a, 196. [all data]
Eland, 1974
Eland, J.H.D.,
Predissociation of triatomic ions studied by photoelectron-photoion coincidence spectroscopy,
Adv. Mass Spectrom., 1974, 6, 917. [all data]
Appell and Durup, 1973
Appell, J.; Durup, J.,
The formation of protons by impact of low energy electrons on water molecules,
Int. J. Mass Spectrom. Ion Phys., 1973, 10, 247. [all data]
McCulloh, 1976
McCulloh, K.E.,
Energetics and mechanisms of fragment ion formation in the photoionization of normal and deuterated water and ammonia,
Int. J. Mass Spectrom. Ion Phys., 1976, 21, 333. [all data]
Cottin, 1959
Cottin, M.,
Etude des ions produits par impact electronique dans la vapeur d'eau,
J. Chim. Phys., 1959, 56, 1024. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Pc Critical pressure Tc Critical temperature Tfus Fusion (melting) point ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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