- Formula: C6H6S
- Molecular weight: 110.177
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: RMVRSNDYEFQCLF-UHFFFAOYSA-N
- CAS Registry Number: 108-98-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Mercaptobenzene; Phenol, thio-; Phenyl mercaptan; Phenylthiol; Thiophenol; Rcra waste number P014; Thiofenol; UN 2337; USAF XR-19; NSC 6953; 930-69-8
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Condensed phase thermochemistry data
Go To: Top, References, Notes
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
|fH°liquid||15.22 ± 0.20||kcal/mol||Ccr||Scott, McCullough, et al., 1956||Reanalyzed by Cox and Pilcher, 1970, Original value = 15.02 ± 0.27 kcal/mol; ALS|
|cH°liquid||-928.43 ± 0.15||kcal/mol||Ccr||Scott, McCullough, et al., 1956||Reanalyzed by Cox and Pilcher, 1970, Original value = -928.27 ± 0.15 kcal/mol; ALS|
|S°liquid||53.250||cal/mol*K||N/A||Scott, McCullough, et al., 1956||DH|
|S°liquid||52.61||cal/mol*K||N/A||Parks, Todd, et al., 1936||Extrapolation below 90 K, 54.68 J/mol*K.; DH|
Constant pressure heat capacity of liquid
|Cp,liquid (cal/mol*K)||Temperature (K)||Reference||Comment|
|41.401||298.15||Scott, McCullough, et al., 1956||T = 10 to 380 K.; DH|
|42.199||298.1||Parks, Todd, et al., 1936||T = 90 to 300 K.; DH|
Go To: Top, Condensed phase thermochemistry data, Notes
Scott, McCullough, et al., 1956
Scott, D.W.; McCullough, J.P.; Hubbard, W.N.; Messerly, J.F.; Hossenlopp, I.A.; Frow, F.R.; Waddington, G., Benzenethiol: Thermodynamic properties in the solid, liquid and vapor states; internal rotation of the thiol group, J. Am. Chem. Soc., 1956, 78, 5463-5468. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Parks, Todd, et al., 1936
Parks, G.S.; Todd, S.S.; Moore, W.A., Thermal data on organic compounds. XVI. Some heat capacity, entropy and free energy data for typical benzene derivatives and heterocyclic compounds, J. Am. Chem. Soc., 1936, 58, 398-401. [all data]
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions cH°liquid Enthalpy of combustion of liquid at standard conditions fH°liquid Enthalpy of formation of liquid at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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