- Formula: C8H7NO
- Molecular weight: 133.1473
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: VAYMIYBJLRRIFR-UHFFFAOYSA-N
- CAS Registry Number: 614-68-6
- Chemical structure:
This structure is also available as a 2d Mol file
- Other names: Isocyanic acid, o-tolyl ester; o-Methylphenyl isocyanate; 2-Methylphenyl isocyanate; o-Toluene isocyanate; o-Tolyl isocyanate; 2-Tolyl isocyanate
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
+ = C16H26N2O
By formula: C8H19N + C8H7NO = C16H26N2O
|rH°||-96.1 ± 0.7||kJ/mol||Cm||Kiselev, Malkov, et al., 1989||liquid phase; solvent: Dioxane|
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
|8.7 ± 0.1||PE||Neijzen and DeLange, 1980||Vertical value|
Mass spectrum (electron ionization)
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Select a region with data to zoom. Select a region with no data or click the mouse on the plot to revert to the orginal display.
The following components were used in generating the plot:
- jQuery UI
- Plugins for Flot:
Use or mention of technologies or programs in this web site is not intended to imply recommendation or endorsement by the National Institute of Standards and Technology, nor is it intended to imply that these items are necessarily the best available for the purpose.
View image of digitized spectrum (can be printed in landscape orientation).
Download spectrum in JCAMP-DX format.
|Owner||NIST Mass Spectrometry Data Center|
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
|Origin||Japan AIST/NIMC Database- Spectrum MS-IW-3836|
|NIST MS number||236463|
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Kiselev, Malkov, et al., 1989
Kiselev, V.D.; Malkov, V.B.; Murzin, D.G.; Shakirov, I.M.; Konovalov, A.I., Thermochemical study of the reaction of isocyanate with amines, Dokl. Phys. Chem. (Engl. Transl.), 1989, 308, 711-713, In original 111. [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]
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.