Ethyne, chloro-
- Formula: C2HCl
- Molecular weight: 60.482
- IUPAC Standard InChI: InChI=1S/C2HCl/c1-2-3/h1H
- IUPAC Standard InChIKey: DIWKDXFZXXCDLF-UHFFFAOYSA-N
- CAS Registry Number: 593-63-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Acetylene, chloro-; Chloroacetylene; Chloroethyne; Ethynyl chloride; Monochloroacetylene; C2HCl; 1-Chloroacetylene
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change 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:
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 51.099 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1968 |
| ΔfH°gas | 54.1 ± 2.4 | kcal/mol | Review | Manion, 2002 | estimate based on a diverse set of quantum calculations; DRB |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 57.837 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1968 |
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) | 298. to 1400. | 1400. to 6000. |
|---|---|---|
| A | 12.90740 | 19.04060 |
| B | 7.474570 | 0.893643 |
| C | -2.915801 | -0.163453 |
| D | 0.449714 | 0.010466 |
| E | -0.169825 | -2.371711 |
| F | 46.37431 | 40.56809 |
| G | 70.39909 | 74.69089 |
| H | 51.10000 | 51.10000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1968 | Data last reviewed in December, 1968 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change 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: Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | 49.4 ± 2.4 | kcal/mol | Review | Manion, 2002 | derived from recommended ΔfHgas° and ΔvapH° |
Phase change 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:
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 4.8 ± 0.2 | kcal/mol | Review | Manion, 2002 | extrapolation based on vapor pressure data of Bashford, Emeleus, et al., 1938 plus a correction for non-ideality; DRB |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 5.21 | 223. | A | Stephenson and Malanowski, 1987 | Based on data from 204. to 238. K.; AC |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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]
Manion, 2002
Manion, J.A.,
Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons,
J. Phys. Chem. Ref. Data, 2002, 31, 1, 123-172, https://doi.org/10.1063/1.1420703
. [all data]
Bashford, Emeleus, et al., 1938
Bashford, L.A.; Emeleus, H.J.; Briscoe, H.V.A.,
255. The oxidation of chloroacetylene and bromoacetylene,
J. Chem. Soc., 1938, 1358, https://doi.org/10.1039/jr9380001358
. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid 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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