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- Formula: C7H5NS
- Molecular weight: 135.186
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: QKFJKGMPGYROCL-UHFFFAOYSA-N
- CAS Registry Number: 103-72-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Isothiocyanic acid, phenyl ester; Isothiocyanatobenzene; Phenyl isothiocyanate; Phenyl mustard oil; Phenyl thioisocyanate; Thiocarbanil; Benzene-1-isothiocyanate; Phenylsenfoel; USAF M-4; Fenylisothiokyanat; PITC; NSC 5583
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- Other data available:
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Phase change data
Go To: Top, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
|Tboil||494.15||K||N/A||Perkin, 1896||Uncertainty assigned by TRC = 1. K; TRC|
|Tboil||491.65||K||N/A||Kahlbaum, 1884||Uncertainty assigned by TRC = 2. K; TRC|
Enthalpy of vaporization
|vapH (kJ/mol)||Temperature (K)||Method||Reference||Comment|
|52.6||335.||A||Stephenson and Malanowski, 1987||Based on data from 320. - 492. K. See also Stull, 1947.; AC|
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
|320.4 - 491.7||4.4421||1930.513||-58.467||Stull, 1947||Coefficents calculated by NIST from author's data.|
Go To: Top, Phase change data, Notes
Perkin, W.H., LXIX. On Magnetic Rotatory Power, especially of Aromatic Compounds, J. Chem. Soc., 1896, 69, 1025-1257. [all data]
Kahlbaum, G.W.A., The dependence of Boiling Temperature on Air Pressure, Ber. Dtsch. Chem. Ges., 1884, 17, 1245. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point vapH Enthalpy of vaporization
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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