Carbon diselenide
- Formula: CSe2
- Molecular weight: 169.93
- IUPAC Standard InChIKey: JNZSJDBNBJWXMZ-UHFFFAOYSA-N
- CAS Registry Number: 506-80-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: CSe2; Carbon selenide; Carbon selenide (CSe2)
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Phase change data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 229.5 | K | N/A | Gattow and Draeger, 1966 | Uncertainty assigned by TRC = 0.2 K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.35 | 245. | Dykyj, Svoboda, et al., 1999 | Based on data from 230. to 290. K.; AC |
8.58 | 305. | Dykyj, Svoboda, et al., 1999 | Based on data from 290. to 337. K.; AC |
9.32 | 288. | Ives, Pittman, et al., 1947 | Based on data from 273. to 323. K. See also Boublik, Fried, et al., 1984.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
273. to 323.16 | 3.24311 | 1068.06 | -78.716 | Ives, Pittman, et al., 1947, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
11.1 | 224. | A | Stephenson and Malanowski, 1987 | Based on data from 218. to 229. K. See also Gattow and Drger, 1966.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.520 | 229.5 | Gattow and Drger, 1966 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.62 | 229.5 | Gattow and Drger, 1966 | DH |
Gas phase ion energetics data
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 173. | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 167.5 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.26 ± 0.01 | PI | Drowart, Smets, et al., 1978 | LLK |
9.4 ± 0.5 | EI | Smoes and Drowart, 1977 | LLK |
9.258 ± 0.0002 | PI | Radler and Berkowitz, 1977 | LLK |
9.524 | PI | Radler and Berkowitz, 1977 | LLK |
9.25 | S | Greening and King, 1976 | LLK |
9.26 | PE | Cradock and Duncan, 1974 | LLK |
9.52 | PE | Cradock and Duncan, 1974 | LLK |
9.27 ± 0.01 | PE | Frost, Lee, et al., 1973 | LLK |
9.54 ± 0.01 | PE | Frost, Lee, et al., 1973 | LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CSe+ | 14.37 ± 0.02 | ? | PI | Drowart, Smets, et al., 1978 | LLK |
CSe+ | 14.586 | Se | PI | Radler and Berkowitz, 1977 | LLK |
Se+ | 13.38 ± 0.02 | ? | PI | Drowart, Smets, et al., 1978 | LLK |
Se+ | 13.4543 | CSe | PI | Radler and Berkowitz, 1977 | LLK |
Se2+ | 15.21 ± 0.02 | ? | PI | Drowart, Smets, et al., 1978 | LLK |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas phase ion energetics 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Chemical Concepts |
NIST MS number | 222541 |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gattow and Draeger, 1966
Gattow, G.; Draeger, M.,
Chalcogencarbonates. XVII. Carbon Diselenides. 2. Thermochemistry of CSe2,
Z. Anorg. Allg. Chem., 1966, 343, 232-43. [all data]
Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R.,
Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]
Ives, Pittman, et al., 1947
Ives, D.J.G.; Pittman, R.W.; Wardlaw, W.,
203. The preparation, properties, and chlorination products of carbon diselenide,
J. Chem. Soc., 1947, 1080, https://doi.org/10.1039/jr9470001080
. [all data]
Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E.,
The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]
Ives, Pittman, et al., 1947, 2
Ives, D.J.G.; Pittman, R.W.; Wardlaw, W.,
The Preparation, Properties, and Chlorination Products of Carbon Diselenide,
J. Chem. Soc., 1947, 1080-1083, https://doi.org/10.1039/jr9470001080
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Gattow and Drger, 1966
Gattow, G.; Drger, M.,
Das Kohlenstoffidselenid 2. Thermochimie des CSe2,
Z. anorg. allgem. Chem., 1966, 343, 232-243. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Drowart, Smets, et al., 1978
Drowart, J.; Smets, J.; Reynaert, J.C.; Coppens, P.,
Mass spectrometric study of the photoionization of inorganic gases vapours,
Adv. Mass Spectrom., 1978, 7, 647. [all data]
Smoes and Drowart, 1977
Smoes, S.; Drowart, J.,
Determination of the atomization energies of the molecules CSe(g) and CSe2(g) by the mass spectrometric Knudsen cell method,
J. Chem. Soc. Faraday Trans. 2, 1977, 73, 1746. [all data]
Radler and Berkowitz, 1977
Radler, K.; Berkowitz, J.,
Photoionization mass spectrometric study of CSe2,
J. Chem. Phys., 1977, 66, 2176. [all data]
Greening and King, 1976
Greening, F.R.; King, G.W.,
Rydberg states of carbon diselenide,
J. Mol. Spectrosc., 1976, 61, 459. [all data]
Cradock and Duncan, 1974
Cradock, S.; Duncan, W.,
The photoelectron spectrum of CSe2,
Mol. Phys., 1974, 27, 837. [all data]
Frost, Lee, et al., 1973
Frost, D.C.; Lee, S.T.; McDowell, C.A.,
Photoelectron spectra of OCSe, SCSe, and CSe2,
J. Chem. Phys., 1973, 59, 5484. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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