Benzene, [(phenylmethyl)thio]-

• Formula: C₁₃H₁₂S
• Molecular weight: 200.299
• IUPAC Standard InChI: InChI=1S/C13H12S/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2 Copy

  
• IUPAC Standard InChIKey: LKMCJXXOBRCATQ-UHFFFAOYSA-N Copy
• CAS Registry Number: 831-91-4
• 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: Benzyl phenyl sulfide; Phenyl benzyl sulfide; Sulfide, benzyl phenyl; 1,2-Diphenyl-1-thiaethane; benzyl phenyl sulphide
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• Information on this page:
  • Phase change data
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
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Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Reduced pressure boiling point

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.

Mulder, Mozenson, et al., 2006
Mulder, Peter; Mozenson, Olga; Lin, Shuqiong; Bernardes, Carlos E.S.; Minas da Piedade, Manuel E.; Santos, Ana Filipa L.O.M.; Ribeiro da Silva, Manuel A.V.; DiLabio, Gino A.; Korth, Hans-Gert; Ingold, K.U., Effect of Ring Substitution on the S-H Bond Dissociation Enthalpies of Thiophenols. An Experimental and Computational Study, J. Phys. Chem. A, 2006, 110, 32, 9949-9958, https://doi.org/10.1021/jp062781h . [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  ΔsubH°	Enthalpy of sublimation at standard conditions

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