Ethane, isothiocyanato-

• Formula: C₃H₅NS
• Molecular weight: 87.143
• IUPAC Standard InChI: InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3 Copy

  
• IUPAC Standard InChIKey: HBNYJWAFDZLWRS-UHFFFAOYSA-N Copy
• CAS Registry Number: 542-85-8
• 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: Isothiocyanic acid, ethyl ester; Ethyl isothiocyanate; Ethyl mustard oil; Isothiocyanatoethane
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Gas Chromatography
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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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

Appearance energy determinations

Mass spectrum (electron ionization)

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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Shenkel, Hobrock, et al., 1962
Shenkel, R.C.; Hobrock, B.G.; Kiser, R.W., The ionization potential of (iso)thiocyanic acid, J. Phys. Chem., 1962, 66, 2074. [all data]

Neijzen and DeLange, 1980
Neijzen, B.J.M.; DeLange, C.A., Photoelectron spectroscopy of some thiocyanates, isocyanates and isothiocyanates, J. Electron Spectrosc. Relat. Phenom., 1980, 18, 179. [all data]

Hobrock, Shenkel, et al., 1963
Hobrock, B.G.; Shenkel, R.C.; Kiser, R.W., Singly and doubly-charged ions from methyl and ethyl isothiocyanates by electron impact, J. Phys. Chem., 1963, 67, 1684. [all data]

Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy

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