- Formula: C7H11NO
- Molecular weight: 125.1683
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: KQWGXHWJMSMDJJ-UHFFFAOYSA-N
- CAS Registry Number: 3173-53-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Isocyanic acid, cyclohexyl ester; Cyclohexyl isocyanate; Isocyanatocyclohexane; NSC 87419; UN 2488; Cyclohexyl ester of isocyanic acid
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Reaction thermochemistry data
Go To: Top, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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By formula: C7H11NO + C6H7N = C13H18N2O
|rH°||-23.5 ± 0.26||kcal/mol||Cm||Kiselev, Malkov, et al., 1989||liquid phase; solvent: Dioxane|
Mass spectrum (electron ionization)
Go To: Top, Reaction thermochemistry data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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|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||NIST Mass Spectrometry Data Center, 1998.|
|NIST MS number||291520|
Go To: Top, Reaction thermochemistry 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]
Go To: Top, Reaction thermochemistry 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
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