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Gas phase thermochemistry data

Go To: Top, Condensed 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.

Quantity Value Units Method Reference Comment
Deltafgas99.300kcal/molReviewChase, 1998Data last reviewed in March, 1978
Quantity Value Units Method Reference Comment
gas,1 bar43.138cal/mol*KReviewChase, 1998Data last reviewed in March, 1978

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) 3133.345 - 6000.
A 2.698980
B 1.670581
C -0.265369
D 0.029243
E 1.359771
F 101.2280
G 49.32101
H 99.30010
ReferenceChase, 1998
Comment Data last reviewed in March, 1978

Condensed phase thermochemistry 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.

Quantity Value Units Method Reference Comment
Deltafliquid2.964kcal/molReviewChase, 1998Data last reviewed in March, 1978
Quantity Value Units Method Reference Comment
liquid,1 bar8.308cal/mol*KReviewChase, 1998Data last reviewed in March, 1978

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) 1809. - 3133.345
A 11.00000
B -4.504460×10-9
C 1.456680×10-9
D -1.587071×10-10
E -1.970870×10-9
F -2.582560
G 17.33770
H 2.962481
ReferenceChase, 1998
Comment Data last reviewed in March, 1978

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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View table.

Temperature (K) 298. - 700.700. - 1042.1042. - 1100.1100. - 1809.298. - 1809.
A 4.404561-13806.80-77.88860-185.64505.730041
B 5.88982132963.606.914140219.74201.999941
C -2.130430-29343.500.000000-91.710900.000066
D 2.3099209245.3200.00000013.64280-0.000021
E -0.003022954.369098.4615057.87211-0.000001
F -1.5709905754.940178.2560166.73600.064060
G 10.16130-20880.5057.80990-133.453014.83350
H 0.0000000.0000000.0000000.0000001.861381
ReferenceChase, 1998Chase, 1998Chase, 1998Chase, 1998Chase, 1998
Comment «alpha»-«delta» phase; Data last reviewed in March, 1978 «alpha»-«delta» phase; Data last reviewed in March, 1978 «alpha»-«delta» phase; Data last reviewed in March, 1978 «alpha»-«delta» phase; Data last reviewed in March, 1978 «gamma» phase; Data last reviewed in March, 1978

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase 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:
MS - José A. Martinho Simões
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess

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

CFeO (g) = Carbon monoxide (g) + iron (g)

By formula: CFeO (g) = CO (g) + Fe (g)

Quantity Value Units Method Reference Comment
Deltar8.4 ± 3.5kcal/molFA-SIFTSunderlin, Wang, et al., 1992MS
Deltar<39.0kcal/molN/AVenkataraman, Bandukwalla, et al., 1989Method: Velocity distributions of photofragments from Fe(CO)5.; MS
Deltar21. ± 6.9kcal/molN/AEngelking and Lineberger, 1979Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

Iron ion (1+) + iron = (Iron ion (1+) bullet iron)

By formula: Fe+ + Fe = (Fe+ bullet Fe)

Quantity Value Units Method Reference Comment
Deltar62.kcal/molCIDLoh, Lian, et al., 1988gas phase; M
Deltar62.4kcal/molPDissTecklenberg, Bricker, et al., 1988gas phase; «DELTA»rH>; M

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
64.1 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) bullet iron) + iron = (Iron ion (1+) bullet 2iron)

By formula: (Fe+ bullet Fe) + Fe = (Fe+ bullet 2Fe)

Quantity Value Units Method Reference Comment
Deltar55.6kcal/molPDissTecklenberg, Bricker, et al., 1988gas phase; «DELTA»rH<; M

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
40.4 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) bullet 2iron) + iron = (Iron ion (1+) bullet 3iron)

By formula: (Fe+ bullet 2Fe) + Fe = (Fe+ bullet 3Fe)

Quantity Value Units Method Reference Comment
Deltar41.5kcal/molCIDLoh, Lian, et al., 1988gas phase; M

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
51.6 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(CAS Reg. No. 59700-48-0 bullet 4294967295iron) + iron = CAS Reg. No. 59700-48-0

By formula: (CAS Reg. No. 59700-48-0 bullet 4294967295Fe) + Fe = CAS Reg. No. 59700-48-0

Quantity Value Units Method Reference Comment
Deltar94.3 ± 4.0kcal/molN/ADrechsler, Boesl, et al., 1997gas phase; B
Deltar94.3 ± 7.0kcal/molTherEngelking and Lineberger, 1977gas phase; B

C12Fe3O12 (cr) = 12Carbon monoxide (g) + 3iron (cr)

By formula: C12Fe3O12 (cr) = 12CO (g) + 3Fe (cr)

Quantity Value Units Method Reference Comment
Deltar123.2 ± 2.8kcal/molTD-HFCConnor, Skinner, et al., 1973MS
Deltar125.7 ± 3.0kcal/molHAL-HFCConnor, Skinner, et al., 1973MS

C6H4FeO4 (l) = 4Carbon monoxide (g) + iron (cr) + Ethylene (g)

By formula: C6H4FeO4 (l) = 4CO (g) + Fe (cr) + C2H4 (g)

Quantity Value Units Method Reference Comment
Deltar46.0 ± 2.0kcal/molHAL-HFCBrown, Connor, et al., 1976MS
Deltar44.31kcal/molTD-HFCBrown, Connor, et al., 1976MS

C9Fe2O9 (cr) = 9Carbon monoxide (g) + 2iron (cr)

By formula: C9Fe2O9 (cr) = 9CO (g) + 2Fe (cr)

Quantity Value Units Method Reference Comment
Deltar99.4 ± 1.0kcal/molTD-HFCConnor, Skinner, et al., 1973MS
Deltar98.8 ± 1.2kcal/molHAL-HFCConnor, Skinner, et al., 1973MS

(Iron ion (1+) bullet 3Carbon monoxide bullet 2iron) + Carbon monoxide = (Iron ion (1+) bullet 4Carbon monoxide bullet 2iron)

By formula: (Fe+ bullet 3CO bullet 2Fe) + CO = (Fe+ bullet 4CO bullet 2Fe)

Quantity Value Units Method Reference Comment
Deltar56.9kcal/molPDissTecklenberg, Bricker, et al., 1988gas phase; «DELTA»rH<; M

(Iron ion (1+) bullet 10iron) + iron = (Iron ion (1+) bullet 11iron)

By formula: (Fe+ bullet 10Fe) + Fe = (Fe+ bullet 11Fe)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
79.8 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) bullet 11iron) + iron = (Iron ion (1+) bullet 12iron)

By formula: (Fe+ bullet 11Fe) + Fe = (Fe+ bullet 12Fe)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
97.5 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) bullet 12iron) + iron = (Iron ion (1+) bullet 13iron)

By formula: (Fe+ bullet 12Fe) + Fe = (Fe+ bullet 13Fe)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
67.2 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) bullet 13iron) + iron = (Iron ion (1+) bullet 14iron)

By formula: (Fe+ bullet 13Fe) + Fe = (Fe+ bullet 14Fe)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
90.1 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) bullet 14iron) + iron = (Iron ion (1+) bullet 15iron)

By formula: (Fe+ bullet 14Fe) + Fe = (Fe+ bullet 15Fe)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
76.2 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) bullet 15iron) + iron = (Iron ion (1+) bullet 16iron)

By formula: (Fe+ bullet 15Fe) + Fe = (Fe+ bullet 16Fe)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
77.2 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) bullet 16iron) + iron = (Iron ion (1+) bullet 17iron)

By formula: (Fe+ bullet 16Fe) + Fe = (Fe+ bullet 17Fe)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
74.3 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) bullet 17iron) + iron = (Iron ion (1+) bullet 18iron)

By formula: (Fe+ bullet 17Fe) + Fe = (Fe+ bullet 18Fe)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
89.1 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) bullet 9iron) + iron = (Iron ion (1+) bullet 10iron)

By formula: (Fe+ bullet 9Fe) + Fe = (Fe+ bullet 10Fe)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
73.6 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) bullet 3iron) + iron = (Iron ion (1+) bullet 4iron)

By formula: (Fe+ bullet 3Fe) + Fe = (Fe+ bullet 4Fe)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
62.1 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) bullet 4iron) + iron = (Iron ion (1+) bullet 5iron)

By formula: (Fe+ bullet 4Fe) + Fe = (Fe+ bullet 5Fe)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
75.3 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) bullet 5iron) + iron = (Iron ion (1+) bullet 6iron)

By formula: (Fe+ bullet 5Fe) + Fe = (Fe+ bullet 6Fe)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
76.5 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) bullet 6iron) + iron = (Iron ion (1+) bullet 7iron)

By formula: (Fe+ bullet 6Fe) + Fe = (Fe+ bullet 7Fe)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
60.2 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) bullet 7iron) + iron = (Iron ion (1+) bullet 8iron)

By formula: (Fe+ bullet 7Fe) + Fe = (Fe+ bullet 8Fe)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
67.2 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) bullet 8iron) + iron = (Iron ion (1+) bullet 9iron)

By formula: (Fe+ bullet 8Fe) + Fe = (Fe+ bullet 9Fe)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
67.9 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) bullet iron) + Carbon monoxide = (Iron ion (1+) bullet Carbon monoxide bullet iron)

By formula: (Fe+ bullet Fe) + CO = (Fe+ bullet CO bullet Fe)

Quantity Value Units Method Reference Comment
Deltar58.6kcal/molPDissTecklenberg, Bricker, et al., 1988gas phase; «DELTA»rH<; M

(CAS Reg. No. 64899-88-3 bullet 4294967295iron) + iron = CAS Reg. No. 64899-88-3

By formula: (CAS Reg. No. 64899-88-3 bullet 4294967295Fe) + Fe = CAS Reg. No. 64899-88-3

Quantity Value Units Method Reference Comment
Deltar43.1 ± 7.0kcal/molN/AStevens, Feigerle, et al., 1983gas phase; B

C12FeO12Ru2 (cr) = 12Carbon monoxide (g) + iron (cr) + 2ruthenium (cr)

By formula: C12FeO12Ru2 (cr) = 12CO (g) + Fe (cr) + 2Ru (cr)

Quantity Value Units Method Reference Comment
Deltar135. ± 2.4kcal/molTD-HFCBaev, Connor, et al., 1981MS

C12Fe2O12Ru (cr) = 12Carbon monoxide (g) + 2iron (cr) + ruthenium (cr)

By formula: C12Fe2O12Ru (cr) = 12CO (g) + 2Fe (cr) + Ru (cr)

Quantity Value Units Method Reference Comment
Deltar118. ± 2.kcal/molTD-HFCBaev, Connor, et al., 1981MS

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Sunderlin, Wang, et al., 1992
Sunderlin, L.S.; Wang, D.; Squires, R.R., Metal Carbonyl Bond Strengths in Fe(CO)n- and Ni(CO)n-, J. Am. Chem. Soc., 1992, 114, 8, 2788, https://doi.org/10.1021/ja00034a004 . [all data]

Venkataraman, Bandukwalla, et al., 1989
Venkataraman, B.K.; Bandukwalla, G.; Zhang, Z.; Vernon, M., J. Chem. Phys., 1989, 90, 5510. [all data]

Engelking and Lineberger, 1979
Engelking, P.C.; Lineberger, W.C., Laser photoelectron spectrometry of the negative ions of iron and iron carbonyls. Electron affinity determination for the series Fe(CO)n,n=0,1,2,3,4, J. Am. Chem. Soc., 1979, 101, 5569. [all data]

Compton and Stockdale, 1976
Compton, R.N.; Stockdale, J.A.D., Formation of gas phase negative ions in Fe(CO)5 and Ni(CO)4, Int. J. Mass Spectrom. Ion Phys., 1976, 22, 47. [all data]

Loh, Lian, et al., 1988
Loh, S.K.; Lian, L.; Hales, D.A.; Armentrout, P.B., Collision - Induced Dissociation Processes of Nb4+ and Fe4+: Fission vs Evaporation, J. Chem. Phys., 1988, 89, 1, 610, https://doi.org/10.1063/1.455455 . [all data]

Tecklenberg, Bricker, et al., 1988
Tecklenberg, R.E.; Bricker, D.L.; Russel, D.H., Laser - Ion Beam Photodissociation Studies of Ionic Cluster Fragments of Iron Carbonyls: Fe(x)(CO)y+ (x = 1 - 3; y = 0 - 6), Organometallics, 1988, 7, 12, 2506, https://doi.org/10.1021/om00102a013 . [all data]

Armentrout and Kickel, 1994
Armentrout, P.B.; Kickel, B.L., Gas Phase Thermochemistry of Transition Metal Ligand Systems: Reassessment of Values and Periodic Trends, in Organometallic Ion Chemistry, B. S. Freiser, ed, 1994. [all data]

Drechsler, Boesl, et al., 1997
Drechsler, G.; Boesl, U.; Bassmann, C.; Schlag, E.W., Mass selected anion-zero kinetic energy photoelectron spectroscopy (anion-ZEKE): Ground and low excited states of FeO, J. Chem. Phys., 1997, 107, 7, 2284-2291, https://doi.org/10.1063/1.474622 . [all data]

Engelking and Lineberger, 1977
Engelking, P.C.; Lineberger, W.C., Laser photoelecton spectrometry of FeO-: Electron affinity, electronic state separations, and ground state vibrations of iron oxide, and a new ground state assignment, J. Chem. Phys., 1977, 66, 5054. [all data]

Connor, Skinner, et al., 1973
Connor, J.A.; Skinner, H.A.; Virmani, Y., High temperature microcalorimetric studies of the thermal decomposition and iodination of polynuclear carbonyls of Fe, Co, Ru, Rh, Re, Os and Ir, Faraday Symp. Chem. Soc., 1973, 8, 18, https://doi.org/10.1039/fs9730800018 . [all data]

Brown, Connor, et al., 1976
Brown, D.L.S.; Connor, J.A.; Leung, M.L.; Paz-Andrade, M.I.; Skinner, H.A., J. Organometal. Chem., 1976, 110, 79. [all data]

Stevens, Feigerle, et al., 1983
Stevens, A.E.; Feigerle, C.S.; Lineberger, W.C., Laser photoelectron spectroscopy of MnH- and FeH-: Electronic structures of the metal hydrides, identification of a low spin excited state of MnH, J. Chem. Phys., 1983, 78, 5420. [all data]

Baev, Connor, et al., 1981
Baev, A.K.; Connor, J.A.; El-Saied, N.I.; Skinner H.A., J. Organometal. Chem., 1981, 213, 151. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References