n-Propoxy radical

• Formula: C₃H₇O
• Molecular weight: 59.0871
• IUPAC Standard InChI: InChI=1S/C3H7O/c1-2-3-4/h2-3H2,1H3 Copy

  
• IUPAC Standard InChIKey: JAVBBFXUGDCHLZ-UHFFFAOYSA-N Copy
• CAS Registry Number: 16499-18-6
• 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 ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
• Options:
  • Switch to calorie-based units

Gas phase ion energetics 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.

Data compiled as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to C₃H₇O⁺ (ion structure unspecified)

Electron affinity determinations

Ionization energy determinations

Vibrational and/or electronic energy levels

Go To: Top, 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: Marilyn E. Jacox

State:   B

State:   A

State:   X

Additional references: Jacox, 1994, page 416; Jacox, 2003, page 390; Gopalakrishnan, Zu, et al., 2003

Notes

References

Go To: Top, 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.

Ellison, Engleking, et al., 1982
Ellison, G.B.; Engleking, P.C.; Lineberger, W.C., Photoelectron spectroscopy of alkoxide and enolate negative ions, J. Phys. Chem., 1982, 86, 4873. [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Williams and Hamill, 1968
Williams, J.M.; Hamill, W.H., Ionization potentials of molecules and free radicals and appearance potentials by electron impact in the mass spectrometer, J. Chem. Phys., 1968, 49, 4467. [all data]

Trepka and Neuert, 1963
Trepka, L.v.; Neuert, H., Uber die Entstehenung von Negativen Ionen aus einigen Kohlenwasserstoffen und Alkoholen durch Elektronenstoss, Z. Naturfor., 1963, 18A, 1295. [all data]

Bai, Okabe, et al., 1989
Bai, J.; Okabe, H.; Emadi-Babaki, M.K., J. Photochem. Photobiol., 1989, A:Chem. 50, 163. [all data]

Mund, Fockenberg, et al., 1998
Mund, Ch.; Fockenberg, Ch.; Zellner, R., LIF spectra of n-propoxy and i-propoxy radicals and kinetics of their reactions with O2 and NO2, Ber. Bunsenges. Phys. Chem., 1998, 102, 5, 709, https://doi.org/10.1002/bbpc.19981020502 . [all data]

Carter, Atwell, et al., 2000
Carter, C.C.; Atwell, J.R.; Gopalakrishnan, S.; Miller, T.A., Jet-Cooled Laser-Induced Fluorescence Spectroscopy of Some Alkoxy Radicals, J. Phys. Chem. A, 2000, 104, 40, 9165, https://doi.org/10.1021/jp001835z . [all data]

Gopalakrishnan, Carter, et al., 2003
Gopalakrishnan, S.; Carter, C.C.; Zu, L.; Stakhursky, V.; Tarczay, G.; Miller, T.A., Rotationally resolved B--X electronic spectra of both conformers of the 1-propoxy radical, J. Chem. Phys., 2003, 118, 11, 4954, https://doi.org/10.1063/1.1545441 . [all data]

Jin, Sioutis, et al., 2004
Jin, J.; Sioutis, I.; Tarczay, G.; Gopalakrishnan, S.; Bezant, A.; Miller, T.A., Dispersed fluorescence spectroscopy of primary and secondary alkoxy radicals, J. Chem. Phys., 2004, 121, 23, 11780, https://doi.org/10.1063/1.1814104 . [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]

Gopalakrishnan, Zu, et al., 2003
Gopalakrishnan, S.; Zu, L.; Miller, T.A., Radiative and non-radiative decay of selected vibronic levels of the state of alkoxy radicals, Chem. Phys. Lett., 2003, 380, 5-6, 749, https://doi.org/10.1016/j.cplett.2003.08.124 . [all data]

Notes

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  EA	Electron affinity

• 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.