- Formula: C3H7ClO
- Molecular weight: 94.540
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: LAMUXTNQCICZQX-UHFFFAOYSA-N
- CAS Registry Number: 627-30-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Trimethylene chlorohydrin; 1-Chloro-3-hydroxypropane; 3-Chloro-1-propanol; 3-Chloropropanol; 3-Chloropropane-1-ol; 3-Chlorpropan-1-ol; 3-Chloropropanol-1; UN 2849; 1-Chloro-3-propanol; 3-Chloro-1-hydroxypropane; Propanol, 3-chloro-; NSC 60190; 3-chloropropan-1-ol
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Gas phase ion energetics data
Go To: Top, References, Notes
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LL - Sharon G. Lias and Joel F. Liebman
Ionization energy determinations
|10.35||PE||Kimura, Katsumata, et al., 1981||LLK|
|10.7||PE||Kimura, Katsumata, et al., 1981||Vertical value; LLK|
Appearance energy determinations
|Ion||AE (eV)||Other Products||Method||Reference||Comment|
|CH3O+||11.20||ClCH2CH2||EI||Holmes and Lossing, 1988||LL|
Go To: Top, Gas phase ion energetics data, Notes
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Holmes and Lossing, 1988
Holmes, J.L.; Lossing, F.P., Heats of formation and bond dissociation energies in halogen-substituted methyl and ethyl radicals, J. Am. Chem. Soc., 1988, 110, 7343. [all data]
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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