C3H7N


Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

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Individual Reactions

C3H6N- + Hydrogen cation = C3H7N

By formula: C3H6N- + H+ = C3H7N

Quantity Value Units Method Reference Comment
Δr1593. ± 18.kJ/molG+TSDahlke and Kass, 1991gas phase; From CH2=CHCH2NH2 + HO-. Between MeOH, EtOH in acidity. Reprotonation structure uncertain.Acid take as EtCH=NH for this acidity.
Quantity Value Units Method Reference Comment
Δr1559. ± 17.kJ/molIMRBDahlke and Kass, 1991gas phase; From CH2=CHCH2NH2 + HO-. Between MeOH, EtOH in acidity. Reprotonation structure uncertain.Acid take as EtCH=NH for this acidity.

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

View reactions leading to C3H7N+ (ion structure unspecified)

De-protonation reactions

C3H6N- + Hydrogen cation = C3H7N

By formula: C3H6N- + H+ = C3H7N

Quantity Value Units Method Reference Comment
Δr1593. ± 18.kJ/molG+TSDahlke and Kass, 1991gas phase; From CH2=CHCH2NH2 + HO-. Between MeOH, EtOH in acidity. Reprotonation structure uncertain.Acid take as EtCH=NH for this acidity.
Quantity Value Units Method Reference Comment
Δr1559. ± 17.kJ/molIMRBDahlke and Kass, 1991gas phase; From CH2=CHCH2NH2 + HO-. Between MeOH, EtOH in acidity. Reprotonation structure uncertain.Acid take as EtCH=NH for this acidity.

Vibrational and/or electronic energy levels

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Marilyn E. Jacox

State:   X


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

a' 1 NH2 a-stretch 3500 gas IR Hamada, Amatatsu, et al., 1985
2 NH2 s-stretch 3415 gas IR Hamada, Amatatsu, et al., 1985
3 1-CH stretch 3070 gas IR Hamada, Amatatsu, et al., 1985
5 CH3 stretch 2970 gas IR Hamada, Amatatsu, et al., 1985
6 CH3 s-stretch 2877 gas IR Hamada, Amatatsu, et al., 1985
7 C=C stretch 1666 s gas IR Hamada, Amatatsu, et al., 1985
8 NH2 scissors 1615 m T gas IR Hamada, Amatatsu, et al., 1985
10 CH3 s-deform. 1375 gas IR Hamada, Amatatsu, et al., 1985
11 2-CH bend 1280 gas IR Hamada, Amatatsu, et al., 1985
12 1-CH bend 1270 gas IR Hamada, Amatatsu, et al., 1985
13 CH3 rock 1078 gas IR Hamada, Amatatsu, et al., 1985
14 CN stretch 1067 gas IR Hamada, Amatatsu, et al., 1985
15 C-C stretch 920 gas IR Hamada, Amatatsu, et al., 1985
16 C3 bend 480 gas IR Hamada, Amatatsu, et al., 1985
a 18 CH3 stretch 2935 gas IR Hamada, Amatatsu, et al., 1985
19 CH3 deform. 1457 gas IR Hamada, Amatatsu, et al., 1985
20 NH2 twist 1210 gas IR Hamada, Amatatsu, et al., 1985
21 CH3 rock 1108 T gas IR Hamada, Amatatsu, et al., 1985
22 1-CH OPLA 993 T gas IR Hamada, Amatatsu, et al., 1985
24 NH2 wag 675 m gas IR Hamada, Amatatsu, et al., 1985

Additional references: Jacox, 1994, page 409

Notes

mMedium
sStrong
TTentative assignment or approximate value

References

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Dahlke and Kass, 1991
Dahlke, G.D.; Kass, S.R., Substituent Effects in the Gas Phase - 1-Substituted Allyl Anions, J. Am. Chem. Soc., 1991, 113, 15, 5566, https://doi.org/10.1021/ja00015a008 . [all data]

Hamada, Amatatsu, et al., 1985
Hamada, Y.; Amatatsu, Y.; Tsuboi, M., Pyrolysis of amines: Infrared spectrum of 1-aminopropene, J. Mol. Spectrosc., 1985, 110, 2, 369, https://doi.org/10.1016/0022-2852(85)90303-0 . [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]


Notes

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