Trichloromethyl radical

• Formula: CCl₃
• Molecular weight: 118.370
• IUPAC Standard InChI: InChI=1S/CCl3/c2-1(3)4 Copy

  
• IUPAC Standard InChIKey: ZBZJXHCVGLJWFG-UHFFFAOYSA-N Copy
• CAS Registry Number: 3170-80-7
• 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.
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
• Options:
  • Switch to calorie-based units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Gas phase thermochemistry data

Go To: Top, Vibrational and/or electronic energy levels, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Vibrational and/or electronic energy levels

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: Marilyn E. Jacox

State:   M

State:   L

State:   K

State:   J

State:   G

State:   F

State:   E

State:   C

State:   ?

State:   ?

State:   X

Additional references: Jacox, 1994, page 217; Jacox, 2003, page 240; Hesse, Leray, et al., 1971

Notes

References

Go To: Top, Gas phase thermochemistry 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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Hudgens, Johnson, et al., 1990
Hudgens, J.W.; Johnson, R.D., III; Tsai, B.P.; Kafafi, S.A., Experimental and ab initio studies of electronic structures of the CCl₃ radical and cation, J. Am. Chem. Soc., 1990, 112, 5763. [all data]

Danis, Caralp, et al., 1989
Danis, F.; Caralp, F.; Veyret, B.; Loirat, H.; Lesclaux, R., The UV absorption spectrum of the CCl3 radical and the kinetics of its mutual combination reaction from 253 to 623 K, Int. J. Chem. Kinet., 1989, 21, 8, 715, https://doi.org/10.1002/kin.550210810 . [all data]

Ellermann, 1992
Ellermann, T., Fine structure of the CCl3 UV absorption spectrum and CCl3 kinetics, Chem. Phys. Lett., 1992, 189, 2, 175, https://doi.org/10.1016/0009-2614(92)85119-U . [all data]

Hintsa, Zhao, et al., 1991
Hintsa, E.J.; Zhao, X.; Jackson, W.M.; Miller, W.B.; Wodtke, A.M.; Lee, Y.T., Production and photodissociation of trichloromethyl radicals in a molecular beam, J. Phys. Chem., 1991, 95, 7, 2799, https://doi.org/10.1021/j100160a031 . [all data]

Breitbarth and Berg, 1988
Breitbarth, F.-W.; Berg, D., A continuous emission in weakly excited CCl4 discharges. CCl3 as possible emitter, Chem. Phys. Lett., 1988, 149, 3, 334, https://doi.org/10.1016/0009-2614(88)85037-1 . [all data]

Andrews, 1967
Andrews, L., None, J. Phys. Chem., 1967, 71, 8, 2761, https://doi.org/10.1021/j100867a073 . [all data]

Andrews, 1968
Andrews, L., Infrared Spectrum of the Trichloromethyl Radical in Solid Argon, J. Chem. Phys., 1968, 48, 3, 972, https://doi.org/10.1063/1.1668852 . [all data]

Current and Burdett, 1969
Current, J.H.; Burdett, J.K., Infrared spectra of .CCl3 and .CCl2Br isolated in an argon matrix, J. Phys. Chem., 1969, 73, 10, 3504, https://doi.org/10.1021/j100844a068 . [all data]

Rogers, Abramowitz, et al., 1970
Rogers, E.E.; Abramowitz, S.; Jacox, M.E.; Milligan, D.E., Matrix-Isolation Studies of the Infrared Spectra of the Free Radicals CCl3 and CBr3, J. Chem. Phys., 1970, 52, 5, 2198, https://doi.org/10.1063/1.1673285 . [all data]

Maltsev, Mikaelian, et al., 1971
Maltsev, A.K.; Mikaelian, R.G.; Nefedov, O.M.; Hauge, R.H.; Margrave, J.L., Pyrolysis of Organomercury Compounds: Investigation by the Method of Matrix Isolation, Proc. Natl. Acad. Sci. (U. S. A.), 1971, 68, 12, 3238, https://doi.org/10.1073/pnas.68.12.3238 . [all data]

Lugez, Jacox, et al., 1998
Lugez, C.L.; Jacox, M.E.; Johnson, R.D., III, Matrix isolation study of the interaction of excited neon atoms with CCl[sub 4]: Infrared spectra of the ion products and of Cl[sub 2]CCl••Cl, J. Chem. Phys., 1998, 109, 17, 7147, https://doi.org/10.1063/1.477397 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Hesse, Leray, et al., 1971
Hesse, C.; Leray, N.; Roncin, J., Etude par résonance paramagnétique électronique de la structure du radical, Mol. Phys., 1971, 22, 1, 137, https://doi.org/10.1080/00268977100102401 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, 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

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.