vinylimine

Formula: C₃H₅N
Molecular weight: 55.0785
IUPAC Standard InChI: InChI=1S/C2H3N/c1-2-3/h3H,1H2
IUPAC Standard InChIKey: ZUKSLMGYYPZZJD-UHFFFAOYSA-N
CAS Registry Number: 18295-52-8
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Data at other public NIST sites:
- Gas Phase Kinetics Database
Options:
- Switch to SI units

Gas phase ion energetics data

Go To: Top, Vibrational and/or electronic energy levels, References, Notes

Data evaluated by: Edward P. Hunter and Sharon G. Lias

View reactions leading to C₃H₅N⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	218.0	kcal/mol	N/A	Hunter and Lias, 1998
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	210.3	kcal/mol	N/A	Hunter and Lias, 1998

Vibrational and/or electronic energy levels

Go To: Top, Gas phase ion energetics data, References, Notes

Data compiled by: Marilyn E. Jacox

State: X

Vib. sym.	No.	Approximate type of mode	cm^-1		Med.	Method	References


a'	4	CH₂ s-stretch	2955		gas	IR	Hamada, Tsuboi, et al., 1984
	5	CH stretch	2885	T	gas	IR	Hamada, Tsuboi, et al., 1984
	6	C=N stretch	1651		gas	IR	Hamada, Tsuboi, et al., 1984
	7	C=C stretch	1600		gas	IR	Hamada, Tsuboi, et al., 1984
	8	CH₂ scissors	1416	T	gas	IR	Hamada, Tsuboi, et al., 1984
	9	CH bend	1368		gas	IR	Hamada, Tsuboi, et al., 1984
	10	CH bend	1260		gas	IR	Hamada, Tsuboi, et al., 1984
	11	CNH bend	1251		gas	IR	Hamada, Tsuboi, et al., 1984
	12	CH₂ rock	1089		gas	IR	Hamada, Tsuboi, et al., 1984
	13	C-C stretch	855	T	gas	IR	Hamada, Tsuboi, et al., 1984
a	16	C=N torsion	1096		gas	IR	Hamada, Tsuboi, et al., 1984
	17	CH OPLA	991		gas	IR	Hamada, Tsuboi, et al., 1984
	18	CH₂ OPLA	979		gas	IR	Hamada, Tsuboi, et al., 1984
	19	CH OPLA	839		gas	IR	Hamada, Tsuboi, et al., 1984
	20	C=C torsion	568		gas	IR	Hamada, Tsuboi, et al., 1984

Additional references: Jacox, 1994, page 408; Penn, 1978

Notes

Tentative assignment or approximate value

References

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Hamada, Tsuboi, et al., 1984
Hamada, Y.; Tsuboi, M.; Matsuzawa, T.; Yamanouchi, K.; Kuchitsu, K.; Koga, Y.; Kondo, S., Pyrolysis of amines: Infrared spectrum of allylimine, J. Mol. Spectrosc., 1984, 105, 2, 453, https://doi.org/10.1016/0022-2852(84)90233-9 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Penn, 1978
Penn, R.E., Microwave spectrum of 2-propene-1-imine, CH2«58875»CHCH«58875»NH, J. Mol. Spectrosc., 1978, 69, 3, 373, https://doi.org/10.1016/0022-2852(78)90230-8 . [all data]

Notes

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References

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.