Ethylenimine
- Formula: C2H5N
- Molecular weight: 43.0678
- IUPAC Standard InChIKey: NOWKCMXCCJGMRR-UHFFFAOYSA-N
- CAS Registry Number: 151-56-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Aziridine; Azacyclopropane; Aziran; Dimethylenimine; Ethyleneimine; EI; Aethylenimin; Azirane; Aziridin; 1H-Azirine, dihydro-; Dihydroazirene; Dihydro-1H-azirine; Dimethyleneimine; ENT-50324; Ethyleenimine; Etilenimina; Rcra waste number P054; TL 337
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Condensed phase 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | 21.96 ± 0.14 | kcal/mol | Ccb | Nelson and Jessup, 1952 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -380.34 ± 0.14 | kcal/mol | Ccb | Nelson and Jessup, 1952 |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- GAS (80 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm-1 resolution
- LIQUID; Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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 | E.GALLEGOS KANSAS STATE UNIVERSITY, MANHATTAN, KANSAS, USA |
NIST MS number | 18859 |
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: Takehiko Shimanouchi
Symmetry: Cs Symmetry Number σ = 1
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a' | 1 | NH str | 3338 | C | 3338 W | gas | 3302 M p | liq. | ||
a' | 2 | CH2 a-str | 3079 | D | 3079 S | gas | 3059 M dp | liq. | OV(ν11) | |
a' | 3 | CH2 s-str | 3015 | D | 3015 S | gas | 2999 VS p | liq. | OV(ν12) | |
a' | 4 | CH2 scis | 1482 | C | 1482 W | gas | 1471 W p | liq. | ||
a' | 5 | Ring str | 1211 | C | 1211 S | gas | 1212 VS p | liq. | ||
a' | 6 | CH2 twist | 1095 | D | 1095 S | gas | 1088 W p | liq. | ||
a' | 7 | CH2 wag | 1090 | D | 1090 S | gas | 1088 W p | liq. | ||
a' | 8 | NH bend | 998 | C | 998 M | gas | 1028 W | liq. | ||
a' | 9 | Ring deform | 856 | C | 856 VS | gas | 855 M dp | liq. | ||
a' | 10 | CH2 rock | 773 | C | 773 S | gas | 787 W dp | liq. | ||
a | 11 | CH2 a-str | 3079 | D | 3079 S | gas | 3059 M dp | liq. | OV(ν2) | |
a | 12 | CH2 s-str | 3015 | D | 3015 S | gas | 2999 VS p | liq. | OV(ν3) | |
a | 13 | CH2 scis | 1463 | C | 1463 W | gas | 1452 W dp | liq. | ||
a | 14 | CH2 twist | 1268 | C | 1268 M | gas | 1276 VW | liq. | ||
a | 15 | NH bend | 1237 | C | 1237 M | gas | 1297 W p | liq. | ||
a | 16 | CH2 wag | 1131 | C | 1131 M | gas | 1130 VW | liq. | ||
a | 17 | Ring deform | 904 | C | 904 S | gas | ||||
a | 18 | CH2 rock | 817 | D | 817 M dp | liq. | ||||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
VW | Very weak |
p | Polarized |
dp | Depolarized |
OV | Overlapped by band indicated in parentheses. |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
Gas Chromatography
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | PMS-100 | 130. | 400. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PMS-100 | 150. | 402. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | PEG-2000 | 152. | 903. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 179. | 933. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Nelson and Jessup, 1952
Nelson, R.A.; Jessup, R.S.,
Heats of combustion and formation of liquid ethylenimine,
J. Res. NBS, 1952, 48, 206-208. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L.,
Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases,
Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]
Notes
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- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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