Dimethylzinc
- Formula: C2H6Zn
- Molecular weight: 95.45
- IUPAC Standard InChIKey: AXAZMDOAUQTMOW-UHFFFAOYSA-N
- CAS Registry Number: 544-97-8
- Chemical structure:
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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.
Data compiled by: José A. Martinho Simões
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 55.4 ± 5.9 | kJ/mol | Review | Martinho Simões | |
ΔfH°gas | 52.9 ± 1.3 | kJ/mol | Review | Martinho Simões |
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°liquid | 25.0 ± 5.9 | kJ/mol | Review | Martinho Simões | MS |
ΔfH°liquid | 22.5 ± 1.3 | kJ/mol | Review | Martinho Simões | MS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -2020.0 ± 5.9 | kJ/mol | CC-SB | Long and Norrish, 1949 | Please also see Cox and Pilcher, 1970.; MS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 201.6 | J/mol*K | N/A | Sheiman, Nistratov, et al., 1984 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
129.2 | 298.15 | Sheiman, Nistratov, et al., 1984 | T = 5 to 300 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
MS - José A. Martinho Simões
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Ttriple | 230.13 | K | N/A | Sheiman, Nistratov, et al., 1984, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 30.4 ± 0.2 | kJ/mol | CC-SB | Sokolovskii and Baev, 1984 | Another value for the enthalpy of vaporization has been reported: 29.5 ± 0.4 kJ/mol Long and Cattanach, 1961.; MS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
30.4 ± 0.1 | 273. to 313. | N/A | Baev, 1997 | AC |
29.9 | 283. | BG | Bamford, Levi, et al., 1946 | Based on data from 248. to 318. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.83 | 230.1 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
5.05 | 210.3 | Domalski and Hearing, 1996 | CAL |
29.68 | 230.1 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.061 | 210.26 | crystaline, II | crystaline, I | Sheiman, Nistratov, et al., 1984 | DH |
6.830 | 230.13 | crystaline, I | liquid | Sheiman, Nistratov, et al., 1984 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
5.05 | 210.26 | crystaline, II | crystaline, I | Sheiman, Nistratov, et al., 1984 | DH |
29.67 | 230.13 | crystaline, I | liquid | Sheiman, Nistratov, et al., 1984 | 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
(l) + ( • 100) (solution) = 2 (g) + ( • 100) (solution)
By formula: C2H6Zn (l) + (H2O4S • 100H2O) (solution) = 2CH4 (g) + (O4SZn • 100H2O) (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -341.8 ± 0.8 | kJ/mol | RSC | Carson, Hartley, et al., 1949 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970. |
By formula: C2H6Zn (g) = CH3Zn (g) + CH4 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 266.5 ± 6.3 | kJ/mol | KinG | Jackson, 1989 | |
ΔrH° | 276. to 298. | kJ/mol | N/A | Smith and Patrick, 1983 | |
ΔrH° | 285. ± 17. | kJ/mol | N/A | McMillen and Golden, 1982 |
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 |
---|---|---|---|
9.00 ± 0.02 | PI | Distefano and Dibeler, 1970 | RDSH |
8.86 ± 0.15 | EI | Winters and Kiser, 1967 | RDSH |
9.4 | PE | Creber and Bancroft, 1980 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH3+ | 15.1 ± 0.5 | ? | EI | Winters and Kiser, 1967 | RDSH |
CH3Zn+ | 10.22 ± 0.02 | CH3 | PI | Distefano and Dibeler, 1970 | RDSH |
CH3Zn+ | 11.2 ± 0.2 | CH3 | EI | Winters and Kiser, 1967 | RDSH |
ZnH+ | 13.9 ± 0.4 | ? | EI | Winters and Kiser, 1967 | RDSH |
Zn+ | 13.13 ± 0.02 | 2CH3 | PI | Distefano and Dibeler, 1970 | RDSH |
Zn+ | 13.4 ± 0.3 | 2CH3 | EI | Winters and Kiser, 1967 | RDSH |
Vibrational and/or electronic energy levels
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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: Takehiko Shimanouchi
Symmetry: D3h'(G+36) Symmetry Number σ = 6
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1' | 1 | CH3 s-str | 2900 | C | ia | 2900 S p | liq. | Free rotation | ||
a1' | 2 | CH3 s-deform | 1157 | C | ia | 1157 S p | liq. | Free rotation | ||
a1' | 3 | CZn s-str | 503 | C | ia | 503 VS p | liq. | Free rotation | ||
a1 | 4 | Torsion | ia | ia | Free rotation | |||||
a2 | 5 | CH3 s-str | 2915 | C | 2915 S | gas | ia | Free rotation | ||
a2 | 6 | CH3 s-deform | 1183 | C | 1183 M | gas | ia | Free rotation | ||
a2 | 7 | CZn a-str | 613 | C | 613 | gas | ia | Free rotation | ||
e' | 8 | CH3 d-str | 2966 | C | 2966 S | gas | 2947 | liq. | Free rotation | |
e' | 9 | CH3 d-deform | 1304 | C | 1301 M | gas | 1302 W | liq. | Free rotation | |
e' | 10 | CH3 rock | 704 | C | 704 S | gas | Free rotation | |||
e' | 11 | CZnC deform | 134 | D | 134 sh | liq. | Free rotation | |||
e | 12 | CH3 d-str | 2843 | C | 2843 | gas | 2830 | liq. | Free rotation | |
e | 13 | CH3 d-deform | 1434 | C | 1434 W | liq. | Free rotation | |||
e | 14 | CH3 rock | 620 | C | 620 M | liq. | Free rotation | |||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
ia | Inactive |
sh | Shoulder |
p | Polarized |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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]
Long and Norrish, 1949
Long, L.H.; Norrish, R.G.W.,
Phil. Trans. Roy. Soc. (London), 1949, A241, 587. [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]
Sheiman, Nistratov, et al., 1984
Sheiman, M.S.; Nistratov, V.P.; Kamelova, G.P.; Rabinovich, I.B.,
Low-temperature heat capacity of organic compounds of aluminum and zinc, Probl. Kalorim. Khim. Termodin., Dokl. Vses. Konf.,
10th, 1984, 2, 457-459. [all data]
Sheiman, Nistratov, et al., 1984, 2
Sheiman, M.S.; Nistratov, V.P.; Kamelova, G.P.; Rabinovich, I.B.,
Low-temperature heat capacity of organic compounds of aluminum and zinc
in Probl. Kalorim. Khim. Termodin., Dokl. Vses. Konf., 10th, Akad. Nauk SSSS Inst. Khim. Fiz.: Chernogolovka, USSR, Vol. 2 2, 1984. [all data]
Sokolovskii and Baev, 1984
Sokolovskii, A.E.; Baev, A.K.,
Zh. Obshch. Khim., 1984, 54, 103. [all data]
Long and Cattanach, 1961
Long, L.H.; Cattanach, J.,
J. Inorg. Nucl. Chem., 1961, 20, 340. [all data]
Baev, 1997
Baev, A.K.,
Thermodynamic study of structural changes in solutions of dimethyl-zinc with methyl compounds of Group VIB elements,
Zh. Neorg. Khim., 1997, 42, 4, 662. [all data]
Bamford, Levi, et al., 1946
Bamford, C.H.; Levi, D.L.; Newitt, D.M.,
91. Physical and chemical properties of organo-metallic compounds. Part I. The vapour pressures and freezing points of simple metal alkyls of Groups II, III, and V,
J. Chem. Soc., 1946, 468, https://doi.org/10.1039/jr9460000468
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Carson, Hartley, et al., 1949
Carson, A.S.; Hartley, K.; Skinner, H.A.,
Thermochemistry of metal alkyls. Part II.?The bond dissociation energies of some Zn?C and Cd?C bonds, and of Et?I.,
Trans. Faraday Soc., 1949, 45, 1159, https://doi.org/10.1039/tf9494501159
. [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]
Jackson, 1989
Jackson, R.L.,
Chem. Phys. Lett., 1989, 163, 315. [all data]
Smith and Patrick, 1983
Smith, G.P.; Patrick, R.,
Int. J. Chem. Kinet., 1983, 15, 167. [all data]
McMillen and Golden, 1982
McMillen, D.F.; Golden, D.M.,
Hydrocarbon bond dissociation energies,
Ann. Rev. Phys. Chem., 1982, 33, 493. [all data]
Distefano and Dibeler, 1970
Distefano, G.; Dibeler, V.H.,
Photoionization study of the dimethyl compounds of zinc, cadmium, and mercury,
Intern. J. Mass Spectrom. Ion Phys., 1970, 4, 59. [all data]
Winters and Kiser, 1967
Winters, R.E.; Kiser, R.W.,
Ionization and fragmentation of dimethylzinc, trimethylaluminum, and trimethylantimony,
J. Organometal. Chem., 1967, 10, 7. [all data]
Creber and Bancroft, 1980
Creber, D.K.; Bancroft, G.M.,
Photoelectron studies of dialkyl group 2B compounds: Ligand field splittings intensity variations with photon energy,
Inorg. Chem., 1980, 19, 643. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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