Chloromethylene
- Formula: CHCl
- Molecular weight: 48.472
- IUPAC Standard InChI: InChI=1S/CHCl/c1-2/h1H
- IUPAC Standard InChIKey: LKYXEULZVGJVTG-UHFFFAOYSA-N
- CAS Registry Number: 2108-20-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 80.000 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1969 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 56.145 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1969 |
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. - 1400. | 1400. - 6000. |
|---|---|---|
| A | 7.925741 | 20.55180 |
| B | 2.531501 | -3.290761 |
| C | 5.786521 | 0.621347 |
| D | -2.983892 | -0.040507 |
| E | -0.029723 | -4.711991 |
| F | 77.37921 | 63.96140 |
| G | 64.58320 | 69.66080 |
| H | 80.00010 | 80.00010 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1969 | Data last reviewed in December, 1969 |
Reaction thermochemistry data
Go To: Top, Gas 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 by: John E. Bartmess
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
(CAS Reg. No. 32180-91-9 • 4294967295) +
= CAS Reg. No. 32180-91-9
By formula: (CAS Reg. No. 32180-91-9 • 4294967295CHCl) + CHCl = CAS Reg. No. 32180-91-9
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 36.5 ± 3.0 | kcal/mol | N/A | Born, Ingemann, et al., 2000 | gas phase; D-EA from this reference yields BDE = 96.0±3.2 kcal/mol |
| ΔrH° | 37.0 ± 2.7 | kcal/mol | CIDT | Poutsma, Paulino, et al., 1997 | gas phase |
References
Go To: Top, Gas phase thermochemistry 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.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Born, Ingemann, et al., 2000
Born, M.; Ingemann, S.; Nibbering, N.M.M.,
Thermochemical properties of halogen-substituted methanes, methyl radicals, and carbenes in the gas phase,
Int. J. Mass Spectrom., 2000, 194, 2-3, 103-113, https://doi.org/10.1016/S1387-3806(99)00125-6
. [all data]
Poutsma, Paulino, et al., 1997
Poutsma, J.C.; Paulino, J.A.; Squires, R.R.,
Absolute Heats of Formation of CHCl, CHF, and CClF. A Gas-Phase Experimental and G2 Theoretical Study.,
J. Phys. Chem. A, 1997, 101, 29, 5327, https://doi.org/10.1021/jp970778f
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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 ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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