Calcium ion (1+)
- Formula: Ca+
- Molecular weight: 40.077
- IUPAC Standard InChI: InChI=1S/Ca/q+1
- IUPAC Standard InChIKey: JDMNMMCDWTVNSP-UHFFFAOYSA-N
- CAS Registry Number: 14102-48-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Calcium cation
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Ion clustering data, 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 |
|---|---|---|---|---|---|
| S°gas,1 bar | 38.396 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1983 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Ion clustering 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
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
( • 2
) +
= (
• 3
)
By formula: (Ca+ • 2H2O) + H2O = (Ca+ • 3H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 21.5 | kcal/mol | HPMS | Kochanski and Constantin, 1987 | gas phase; M |
( • 3
) +
= (
• 4
)
By formula: (Ca+ • 3H2O) + H2O = (Ca+ • 4H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 18.7 | kcal/mol | HPMS | Kochanski and Constantin, 1987 | gas phase; M |
( • 4
) +
= (
• 5
)
By formula: (Ca+ • 4H2O) + H2O = (Ca+ • 5H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17.5 | kcal/mol | HPMS | Kochanski and Constantin, 1987 | gas phase; M |
( •
) +
= (
• 2
)
By formula: (Ca+ • H2O) + H2O = (Ca+ • 2H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 24. | kcal/mol | HPMS | Kochanski and Constantin, 1987 | gas phase; M |
+
= (
•
)
By formula: Ca+ + N2 = (Ca+ • N2)
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 6.0 | 296. | FA | Spears and Fehsenfeld, 1972 | gas phase; M |
+
= (
•
)
By formula: Ca+ + O2 = (Ca+ • O2)
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 6.0 | 296. | FA | Spears and Fehsenfeld, 1972 | gas phase; M |
+
= (
•
)
By formula: Ca+ + H2O = (Ca+ • H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 28. | kcal/mol | HPMS | Kochanski and Constantin, 1987 | gas phase; M |
+
= (
•
)
By formula: Ca+ + C9H12 = (Ca+ • C9H12)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 32.3 | kcal/mol | RAK | Gapeev and Dunbar, 2000 | RCD |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, 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 as indicated in comments:
RCD - Robert C. Dunbar
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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
+
= (
•
)
By formula: Ca+ + C9H12 = (Ca+ • C9H12)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 32.3 | kcal/mol | RAK | Gapeev and Dunbar, 2000 | RCD |
+
= (
•
)
By formula: Ca+ + H2O = (Ca+ • H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 28. | kcal/mol | HPMS | Kochanski and Constantin, 1987 | gas phase; M |
( •
) +
= (
• 2
)
By formula: (Ca+ • H2O) + H2O = (Ca+ • 2H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 24. | kcal/mol | HPMS | Kochanski and Constantin, 1987 | gas phase; M |
( • 2
) +
= (
• 3
)
By formula: (Ca+ • 2H2O) + H2O = (Ca+ • 3H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 21.5 | kcal/mol | HPMS | Kochanski and Constantin, 1987 | gas phase; M |
( • 3
) +
= (
• 4
)
By formula: (Ca+ • 3H2O) + H2O = (Ca+ • 4H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 18.7 | kcal/mol | HPMS | Kochanski and Constantin, 1987 | gas phase; M |
( • 4
) +
= (
• 5
)
By formula: (Ca+ • 4H2O) + H2O = (Ca+ • 5H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17.5 | kcal/mol | HPMS | Kochanski and Constantin, 1987 | gas phase; M |
+
= (
•
)
By formula: Ca+ + N2 = (Ca+ • N2)
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 6.0 | 296. | FA | Spears and Fehsenfeld, 1972 | gas phase; M |
+
= (
•
)
By formula: Ca+ + O2 = (Ca+ • O2)
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 6.0 | 296. | FA | Spears and Fehsenfeld, 1972 | gas phase; M |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, 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]
Kochanski and Constantin, 1987
Kochanski, E.; Constantin, E.,
Theoretical and Experimental Studies of the System Ca+(H2O)n for n=1 to 10,
J. Chem. Phys., 1987, 87, 3, 1661, https://doi.org/10.1063/1.453229
. [all data]
Spears and Fehsenfeld, 1972
Spears, K.G.; Fehsenfeld, F.C.,
Termolecular Association Reactions of Mg, Ca, and Ba Ions,
J. Chem. Phys., 1972, 56, 11, 5698, https://doi.org/10.1063/1.1677091
. [all data]
Gapeev and Dunbar, 2000
Gapeev, A.; Dunbar, R.C.,
Binding of Alkaline Earth Halide Ions MX+ to Benzene and Mesitylene,
J. Am. Soc. Mass Spectrom., 2000, 13, 5, 477, https://doi.org/10.1016/S1044-0305(02)00373-2
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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