zirconium
- Formula: Zr
- Molecular weight: 91.224
- IUPAC Standard InChI: InChI=1S/Zr
- IUPAC Standard InChIKey: QCWXUUIWCKQGHC-UHFFFAOYSA-N
- CAS Registry Number: 7440-67-7
- Chemical structure:
This structure is also available as a 2d Mol file - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Options:
Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, NIST Free Links, NIST Subscription Links, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 610.03 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1979 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 183.02 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1979 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
View plot Requires a JavaScript / HTML 5 canvas capable browser.
| Temperature (K) | 4702.633 to 6000. |
|---|---|
| A | 39.48064 |
| B | -6.518337 |
| C | 2.261315 |
| D | -0.194402 |
| E | -12.50577 |
| F | 578.0196 |
| G | 212.2748 |
| H | 610.0272 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1979 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, NIST Free Links, NIST Subscription Links, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | 17.40 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1979 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid,1 bar | 47.60 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1979 |
Liquid Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
View plot Requires a JavaScript / HTML 5 canvas capable browser.
| Temperature (K) | 2125. to 4702.633 |
|---|---|
| A | 41.84000 |
| B | 3.954064×10-8 |
| C | -9.195094×10-9 |
| D | 7.208698×10-10 |
| E | 4.577756×10-8 |
| F | -9.152961 |
| G | 77.16133 |
| H | 17.40402 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1979 |
Solid Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
View plot Requires a JavaScript / HTML 5 canvas capable browser.
| Temperature (K) | 298. to 1700. | 298. to 800. | 800. to 2125. |
|---|---|---|---|
| A | 29.01663 | 25.39240 | 22.00069 |
| B | -12.55597 | 0.434236 | 2.211893 |
| C | 20.74954 | 4.384539 | 0.410633 |
| D | -5.914000 | 1.017123 | 0.705368 |
| E | -0.157249 | -0.065449 | 2.927135 |
| F | -8.791924 | -3.039760 | 3.562032 |
| G | 75.97265 | 73.22000 | 74.71201 |
| H | 0.000000 | 4.810010 | 4.810010 |
| Reference | Chase, 1998 | Chase, 1998 | Chase, 1998 |
| Comment | α phase; Data last reviewed in June, 1979 | β phase; Data last reviewed in June, 1979 | β phase; Data last reviewed in June, 1979 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, NIST Free Links, NIST Subscription Links, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
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
B - John E. Bartmess
View reactions leading to Zr+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 6.63390 ± 0.00004 | eV | N/A | N/A | L |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.427 ± 0.014 | LPES | Feigerle, Corderman, et al., 1981 | B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 6.63390 | EVAL | Lide, 1992 | LL |
| 6.63390 ± 0.00004 | LS | Hackett, Humphries, et al., 1986 | LBLHLM |
| 6.48 ± 0.07 | EI | Rauh and Ackermann, 1979 | LLK |
| 5.8 ± 0.2 | EI | Murad and Hildenbrand, 1975 | LLK |
| 6.4 ± 0.1 | EI | Rauh and Ackermann, 1974 | LLK |
| 6.84 | S | Moore, 1970 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, NIST Free Links, NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Feigerle, Corderman, et al., 1981
Feigerle, C.S.; Corderman, R.R.; Bobashev, S.V.; Lineberger, W.C.,
Binding Energies and Structure of Transition Metal Negative Ions,
J. Chem. Phys., 1981, 74, 3, 1580, https://doi.org/10.1063/1.441289
. [all data]
Lide, 1992
Lide, D.R. (Editor),
Ionization potentials of atoms and atomic ions
in Handbook of Chem. and Phys., 1992, 10-211. [all data]
Hackett, Humphries, et al., 1986
Hackett, P.A.; Humphries, M.R.; Mitchell, S.A.; Rayner, D.M.,
The first ionization potential of zirconium atoms determined by two laser, field-ionization spectroscopy of high lying Rydberg series,
J. Chem. Phys., 1986, 85, 3194. [all data]
Rauh and Ackermann, 1979
Rauh, E.G.; Ackermann, R.J.,
The first ionization potentials of the transition metals,
J. Chem. Phys., 1979, 70, 1004. [all data]
Murad and Hildenbrand, 1975
Murad, E.; Hildenbrand, D.L.,
Thermochemical properties of gaseous ZrO and ZrO2,
J. Chem. Phys., 1975, 63, 1133. [all data]
Rauh and Ackermann, 1974
Rauh, E.G.; Ackermann, R.J.,
First ionization potentials of some refractory oxide vapors,
J. Chem. Phys., 1974, 60, 1396. [all data]
Moore, 1970
Moore, C.E.,
Ionization potentials and ionization limits derived from the analyses of optical spectra,
Natl. Stand. Ref. Data Ser., (U.S. Natl. Bur. Stand.), 1970, 34, 1. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, NIST Free Links, NIST Subscription Links, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.