iron dichloride
- Formula: Cl2Fe
- Molecular weight: 126.751
- CAS Registry Number: 7758-94-3
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Gas phase thermochemistry data
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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 | -33.700 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1970 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 71.554 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1970 |
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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 2000. to 6000. |
---|---|
A | 13.66350 |
B | 1.709120 |
C | -0.388339 |
D | 0.025991 |
E | -0.026329 |
F | -37.93439 |
G | 87.44859 |
H | -33.70010 |
Reference | Chase, 1998 |
Comment | Data last reviewed in December, 1970 |
Condensed phase thermochemistry data
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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 | -74.412 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1970 |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid,1 bar | 33.432 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1970 |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°solid | -81.699 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1970 |
Quantity | Value | Units | Method | Reference | Comment |
S°solid | 28.191 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1970 |
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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 950. to 2000. |
---|---|
A | 24.42001 |
B | -2.578440×10-9 |
C | 2.013480×10-9 |
D | -5.011320×10-10 |
E | -4.412912×10-11 |
F | -81.69190 |
G | 62.98339 |
H | -74.41121 |
Reference | Chase, 1998 |
Comment | Data last reviewed in December, 1970 |
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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 950. |
---|---|
A | 17.60720 |
B | 5.387211 |
C | -2.419150 |
D | 0.350430 |
E | -0.060384 |
F | -87.37180 |
G | 47.65590 |
H | -81.70010 |
Reference | Chase, 1998 |
Comment | Data last reviewed in December, 1970 |
Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 48.8 ± 0.96 | kcal/mol | N/A | Bardi, Brunetti, et al., 1996 | |
ΔsubH° | 46.1 ± 2.9 | kcal/mol | N/A | Schoonmaker and Porter, 1958 | See also Bardi, Brunetti, et al., 1996. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
47.54 ± 0.48 | 780. | TE,ME | Bardi, Brunetti, et al., 1996 | Based on data from 693. to 866. K. |
45. ± 2. | 719. | TE | Sime and Gregory, 1960 | Based on data from 694. to 745. K. See also Bardi, Brunetti, et al., 1996. |
44.5 ± 2.9 | 640. | MS | Schoonmaker and Porter, 1958 | Based on data from 621. to 658. K. See also Bardi, Brunetti, et al., 1996. |
Gas phase ion energetics data
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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:
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 |
---|---|---|---|
10.0 | PE | Lee, Potts, et al., 1980 | LLK |
11.5 ± 0.5 | EI | Schoonmaker and Porter, 1958 | RDSH |
10.1 | PE | MacNaughton, Bloor, et al., 1981 | Vertical value; LLK |
10.34 | PE | Lee, Potts, et al., 1980 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
FeCl+ | 12.8 ± 0.5 | Cl | EI | Schoonmaker and Porter, 1958 | RDSH |
Fe+ | 16.5 ± 0.5 | ? | EI | Schoonmaker and Porter, 1958 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Bardi, Brunetti, et al., 1996
Bardi, Gianpiero; Brunetti, Bruno; Piacente, Vincenzo,
Vapor Pressure and Standard Enthalpies of Sublimation of Iron Difluoride, Iron Dichloride, and Iron Dibromide,
J. Chem. Eng. Data, 1996, 41, 1, 14-20, https://doi.org/10.1021/je950115w
. [all data]
Schoonmaker and Porter, 1958
Schoonmaker, R.C.; Porter, R.F.,
Mass spectrometric study of ferrous chloride vapor,
J. Chem. Phys., 1958, 29, 116. [all data]
Sime and Gregory, 1960
Sime, R.J.; Gregory, N.W.,
VAPOR PRESSURES OF FeCl 2 , FeBr 2 AND FeI 2 BY THE TORSION EFFUSION METHOD,
J. Phys. Chem., 1960, 64, 1, 86-89, https://doi.org/10.1021/j100830a021
. [all data]
Lee, Potts, et al., 1980
Lee, E.P.F.; Potts, A.W.; Doran, M.; Hillier, I.H.; Delaney, J.J.; Hawksworth, R.W.; Guest, M.F.,
Photoelectron spectra and electronic structure of the transition metal dichlorides, MCl2(M = Cr, Mn, Fe, Co, Ni),
J. Chem. Soc. Faraday Trans. 2, 1980, 76, 506. [all data]
MacNaughton, Bloor, et al., 1981
MacNaughton, R.M.; Bloor, J.E.; Sherrod, R.E.; Schweitzer, G.K.,
The He(I) photoelectron psectra of some gaseous 3d-transition metal dihalides,
J. Electron Spectrosc. Relat. Phenom., 1981, 22, 1. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance 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) S°solid Entropy of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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