Propane, 2-isocyanato-2-methyl-

• Formula: C₅H₉NO
• Molecular weight: 99.1311
• IUPAC Standard InChI: InChI=1S/C5H9NO/c1-5(2,3)6-4-7/h1-3H3 Copy

  
• IUPAC Standard InChIKey: MGOLNIXAPIAKFM-UHFFFAOYSA-N Copy
• CAS Registry Number: 1609-86-5
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Isocyanic acid, tert-butyl ester; t-butylisocyanate; tert-Butyl Isocyanate; 1,1-Dimethylethyl isocyanate; t-C4H9NCO; UN 2484
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Gas phase ion energetics data

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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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₅H₉NO⁺ (ion structure unspecified)

Ionization energy determinations

References

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

Veszpremi, Pasinszki, et al., 1991
Veszpremi, T.; Pasinszki, T.; Feher, M., Photoelectron spectroscopic studies of the silicon pseudohalides: Relationship between geometrical and electronic structure, J. Chem. Soc. Faraday Trans., 1991, 87, 3805. [all data]

Bastide, Maier, et al., 1976
Bastide, J.; Maier, J.P.; Kubota, T., Ionisation energies and electronic structures of the phenyl 1,3-dipoles, J. Electron Spectrosc. Relat. Phenom., 1976, 9, 307. [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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