Iron pentacarbonyl


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.

Data compiled as indicated in comments:
MS - José A. Martinho Simões

Quantity Value Units Method Reference Comment
Δfliquid-766.09kJ/molReviewChase, 1998Data last reviewed in March, 1978
Δfliquid-764.1 ± 6.7kJ/molReviewMartinho SimõesMS
Quantity Value Units Method Reference Comment
Δcliquid-1614.6 ± 6.3kJ/molCC-SBCotton, Fischer, et al., 1959Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970.; MS
Quantity Value Units Method Reference Comment
liquid,1 bar337.08J/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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 700.
A 233.7852
B 0.000014
C -0.000022
D 0.000012
E 6.567542×10-8
F -835.7958
G 619.9977
H -766.0904
ReferenceChase, 1998
Comment Data last reviewed in March, 1978

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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
MS - José A. Martinho Simões
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil376.KN/APCR Inc., 1990BS
Quantity Value Units Method Reference Comment
Δvap40.2 ± 0.8kJ/molCC-SBLeadbetter and Spice, 1959MS
Δvap38.1 ± 0.4kJ/molN/ALeadbetter and Spice, 1959, 2AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Reference Comment
40.1 ± 0.5279.Gilbert and Sulzmann, 1974Based on data from 254. to 304. K.; AC
39.0309.Valerga, 1970Based on data from 266. to 353. K.; AC
37.6281.Stull, 1947Based on data from 266. to 378. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
254. to 304.3.897631258.218-61.563Gilbert and Sulzmann, 1974, 2Coefficents calculated by NIST from author's data.
266.7 to 378.5.189431960.896-0.228Stull, 1947Coefficents calculated by NIST from author's data.

IR Spectrum

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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: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson

Condensed Phase Spectrum

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IR spectrum
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Additional Data

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Owner Public domain
Origin Pacific Northwest National Laboratory Under IARPA Contract
Date March 2017
State liquid
Instrument Bruker Tensor 27 FTIR
Instrument resolution 2.0 cm-1
IR source Silicon carbide glow bar
Aperture 3 mm
Beam splitter Broadband potassium bromide (KBr)
Detector DLTGS at room temperature
Scanner velocity 10 kHz
Phase correction Mertz
Interferogram zero fill 4x
Spectral interval after zero fill 0.4823 cm-1
Spectral range 7800 to 400 cm-1 (1.282 to 25 microns)
Resolution 0.4821395
Apodization Norton-Beer, Medium
Folding limits 15802 to 0 cm-1
Number of interferograms averaged per single channel spectrum 128

References

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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]

Martinho Simões
Martinho Simões, J.A., Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]

Cotton, Fischer, et al., 1959
Cotton, F.A.; Fischer, A.K.; Wilkinson, G., J. Am. Chem. Soc., 1959, 81, 800. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds in Academic Press, New York, 1970. [all data]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]

Leadbetter and Spice, 1959
Leadbetter, A.J.; Spice, J.E., Can. J. Chem., 1959, 37, 1923. [all data]

Leadbetter and Spice, 1959, 2
Leadbetter, A.J.; Spice, J.E., THE THIRD LAW ENTROPY AND STRUCTURE OF IRON PENTACARBONYL, Can. J. Chem., 1959, 37, 11, 1923-1929, https://doi.org/10.1139/v59-281 . [all data]

Gilbert and Sulzmann, 1974
Gilbert, A.G.; Sulzmann, K.G.P., The Vapor Pressure of Iron Pentacarbonyl, J. Electrochem. Soc., 1974, 121, 6, 832-637, https://doi.org/10.1149/1.2401930 . [all data]

Valerga, 1970
Valerga, Antone J., Entropy and Related Thermodynamic Properties of Tetramethylgermane, J. Chem. Phys., 1970, 52, 9, 4545, https://doi.org/10.1063/1.1673681 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Gilbert and Sulzmann, 1974, 2
Gilbert, A.G.; Sulzmann, K.G.P., The Vapor Pressure of Iron Pentacarbonyl, J. Electrochem. Soc., 1974, 121, 6, 832-834, https://doi.org/10.1149/1.2401930 . [all data]


Notes

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