bis(η5-Cyclopentadienyl) chromium
- Formula: C10H10Cr
- Molecular weight: 182.1825
- IUPAC Standard InChIKey: OXPNGPODCRFNTM-UHFFFAOYSA-N
- CAS Registry Number: 1271-24-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Chromocene; bis(η5-cyclopenta-2,4-dien-1-yl)chromium
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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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | 42.61 ± 0.62 | kcal/mol | Review | Martinho Simões | MS |
ΔfH°solid | 44.5 ± 0.7 | kcal/mol | CC-SB | Chipperfield, Sneyd, et al., 1979 | Value corrected based on a set of ancillary data by J.A. Martinho Simões; The enthalpy of combustion is not reported in Chipperfield, Sneyd, et al., 1979; MS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1461.0 ± 0.50 | kcal/mol | CC-SB | Tel'noi, Kirynov, et al., 1975 | Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 56.41 | cal/mol*K | N/A | Rabinovich, Nistratov, et al., 1978 | DH |
S°solid,1 bar | 56.41 | cal/mol*K | N/A | Rabinovich, Nistratov, et al., 1975 | DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
47.44 | 298. | Chhor, Pommier, et al., 1984 | T = 10 to 300 K. Unsmoothed experimental datum.; DH |
47.61 | 298.15 | Rabinovich, Nistratov, et al., 1978 | T = 5 to 300 K.; DH |
47.59 | 298.15 | Rabinovich, Nistratov, et al., 1975 | T = 5 to 298.15 K.; DH |
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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
MS - José A. Martinho Simões
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 452.1 | K | N/A | Baev, Barkatin, et al., 1979 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 17.0 ± 0.31 | kcal/mol | CC-SB | Baev, Barkatin, et al., 1984 | Other values for the enthalpy of sublimation have been reported: 15.0 ± 1.0 kcal/mol Pilcher and Skinner, 1982 and 16.7 ± 0.41 kcal/mol Tel'noi and Rabinovich, 1977; MS |
ΔsubH° | 17.0 | kcal/mol | N/A | Baev, Barkatin, et al., 1984, 2 | AC |
ΔsubH° | 15.0 ± 1.0 | kcal/mol | N/A | Pilcher and Skinner, 1983 | See also Tel'noi, Kirynov, et al., 1975.; AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.8 ± 0.36 | 485. | Baev, Barkatin, et al., 1984, 2 | Based on data from 452. to 519. K.; AC |
Temperature of phase transition
Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|
160. to 230. | crystaline, II | crystaline, I | Pommier and Azokpota, 1976 | S = 1.5 J/mol*K Lambda type transition.; DH |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.0633 | 99.7 | crystaline, II | crystaline, I | Rabinovich, Nistratov, et al., 1978 | Lambda transition between 75 to 140 K with a maximum at 99.7 K and another flat peak at 118 K.; DH |
0.0633 | 99.5 | crystaline, II | crystaline, I | Rabinovich, Nistratov, et al., 1975 | Lambda transition between 75 to 140 K with a maximum at 99.7 K and another flat peak at 118 K.; DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.609 | 99.7 | crystaline, II | crystaline, I | Rabinovich, Nistratov, et al., 1978 | Lambda; DH |
0.614 | 99.5 | crystaline, II | crystaline, I | Rabinovich, Nistratov, et al., 1975 | Lambda; DH |
Reaction 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 by: José A. Martinho Simões
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
(solution) +
(solution) = C11H10CrO (solution)
By formula: C10H10Cr (solution) + CO (solution) = C11H10CrO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -18.8 ± 0.50 | kcal/mol | EqS | Wong and Brintzinger, 1975 | solvent: Toluene; Temperature range: 280-308 K |
References
Go To: Top, Condensed phase thermochemistry data, Phase change 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.
Martinho Simões
Martinho Simões, J.A.,
Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]
Chipperfield, Sneyd, et al., 1979
Chipperfield, J.R.; Sneyd, J.C.R.; Webster, D.E.,
J. Organometal. Chem., 1979, 178, 177. [all data]
Tel'noi, Kirynov, et al., 1975
Tel'noi, V.I.; Kirynov, K.V.; Ermolaev, V.I.; Rabinovich, I.B.,
Dokl. Akad. Nauk SSSR, 1975, 220, 1088. [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]
Tel'noi and Rabinovich, 1977
Tel'noi, V.I.; Rabinovich, I.B.,
Russ. Chem. Rev., 1977, 46, 689. [all data]
Rabinovich, Nistratov, et al., 1978
Rabinovich, I.B.; Nistratov, V.P.; Sheiman, M.S.; Burchalova, G.V.,
Heat capacities of dicyclopentadienyl compounds of vanadium, chromium, manganese, cobalt, and nickel,
J. Chem. Thermodynam., 1978, 10, 523-536. [all data]
Rabinovich, Nistratov, et al., 1975
Rabinovich, I.B.; Nistratov, V.P.; Sheiman, M.S.; Burchalova, G.V.,
Heat capacity and transitions in solid state. Dicyclopentadienyl compounds of transition elements,Quatrieme Conference International de Thermodynamique Chimique II,
Thermophysiques (capacites thermiques) pp., 1975, 69-76, 136. [all data]
Chhor, Pommier, et al., 1984
Chhor, K.; Pommier, C.; Diot, M.,
Low-temperature thermodynamic study of the stable and metastable phases of (C4H4N)Fe(C5H5) (C4H4P)Fe(C5H5), and (C5H5)2 Cr crystals,
J. Chem. Thermodynam., 1984, 16, 503-517. [all data]
Baev, Barkatin, et al., 1979
Baev, A.K.; Barkatin, A.A.; Gubin, S.P.; Dyagileva, S.P.,
Thermodynamics of phase transitions and vapor state of some compounds of elements with incomplete d-shells
in Vses. Konf. po Kalorimetrii i Khim. Termodinamike, 8th, Ivanovo, p 386-389, 1979. [all data]
Baev, Barkatin, et al., 1984
Baev, A.K.; Barkatin, A.A.; Dargileva, L.M.,
Vesti Akad. Navuk BSSR, Ser. Khim. Navuk, 1984, 60.. [all data]
Pilcher and Skinner, 1982
Pilcher, G.; Skinner, H.A.,
In The Chemistry of the Metal-Carbon Bond Wiley: New York, Hartley, F. R.; Patai, S., ed(s)., 1982. [all data]
Baev, Barkatin, et al., 1984, 2
Baev, A.K.; Barkatin, A.A.; Dyagileva, L.M.,
Vestsi Akad. Navuk BSSR Ser. Khim. Navuk, 1984, 60. [all data]
Pilcher and Skinner, 1983
Pilcher, G.; Skinner, H.A.,
Thermochemistry of organometallic compounds, 1983, 43-90, https://doi.org/10.1002/9780470771686.ch2
. [all data]
Pommier and Azokpota, 1976
Pommier, C.; Azokpota, C.,
Study of phase transitions in metallocenes by determining specific heat curves,
J. Calorim. Anal. Therm. [C.R.], 1976, 3-6, 1-8. [all data]
Wong and Brintzinger, 1975
Wong, K.L.T.; Brintzinger, H.H.,
J. Am. Chem. Soc., 1975, 97, 5143. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) Tfus Fusion (melting) point Ttrs Temperature of phase transition ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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