2-Imidazolidinone
- Formula: C3H6N2O
- Molecular weight: 86.0925
- IUPAC Standard InChIKey: YAMHXTCMCPHKLN-UHFFFAOYSA-N
- CAS Registry Number: 120-93-4
- 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. - Other names: Ethyleneurea; Imidazolid-2-one; N,N'-Ethyleneurea; SD 6073; Urea, N,N'-(1,2-Ethanediyl)-; 2-Imidazolidone; 2-Oxoimidazolidine; Urea, 1,3-ethylene-; 1,3-Ethyleneurea; Imidazoliden-2-one; NSC 21314
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Phase change data
Go To: Top, Gas phase ion energetics data, IR Spectrum, 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Ttriple | 397.3 | K | N/A | Weinstein, Leffler, et al., 1984 | Crystal phase 1 phase; Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 96.6 ± 0.8 | kJ/mol | ME | Ribeiro da Silva, Ribeiro da Silva, et al., 2008 | Based on data from 327. to 349. K.; AC |
ΔsubH° | 83.7 | kJ/mol | N/A | de Farias, de Oliveira, et al., 1999 | AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
11.5 | 401.2 | N/A | Ribeiro da Silva, Ribeiro da Silva, et al., 2008 | AC |
5.11 | 397.3 | DSC | Weinstein, Leffler, et al., 1984, 2 | AC |
Gas phase ion energetics data
Go To: Top, Phase change data, IR Spectrum, 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.9 | PE | Andreocci, Devillanova, et al., 1980 | |
9.55 | PE | Andreocci, Devillanova, et al., 1980 | Vertical value |
IR Spectrum
Go To: Top, Phase change data, Gas phase ion energetics data, 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: Coblentz Society, Inc.
Spectrum
A digitized version of this spectrum is not currently available.
Additional Data
View scan of original (hardcopy) spectrum.
Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Source reference | COBLENTZ NO. 3207 |
Date | Not specified, most likely prior to 1970 |
Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
Data processing | (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE) |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 | Japan AIST/NIMC Database- Spectrum MS-NW- 489 |
NIST MS number | 229112 |
References
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Weinstein, Leffler, et al., 1984
Weinstein, D.I.; Leffler, A.J.; Currie, J.A.,
Phase Transitions in Bicyclic Compounds,
Mol. Cryst. Liq. Cryst., 1984, 104, 95. [all data]
Ribeiro da Silva, Ribeiro da Silva, et al., 2008
Ribeiro da Silva, Maria das Dores M.C.; Ribeiro da Silva, Manuel A.V.; Freitas, Vera L.S.; Roux, Maria Victoria; Jiménez, Pilar; Temprado, Manuel; Dávalos, Juan Z.; Cabildo, Pilar; Claramunt, Rosa M.; Elguero, José,
Structural studies of cyclic ureas: 1. Enthalpies of formation of imidazolidin-2-one and N,N´-trimethyleneurea,
The Journal of Chemical Thermodynamics, 2008, 40, 3, 386-393, https://doi.org/10.1016/j.jct.2007.08.004
. [all data]
de Farias, de Oliveira, et al., 1999
de Farias, Robson F.; de Oliveira, Ótom A.; de Medeiros, José V.; Claudio Airoldi, José V.,
Adducts of cyclic ureas with zinc halides -- a thermochemical study,
Thermochimica Acta, 1999, 328, 1-2, 241-246, https://doi.org/10.1016/S0040-6031(98)00648-0
. [all data]
Weinstein, Leffler, et al., 1984, 2
Weinstein, D.I.; Leffler, A.J.; Currie, J.A.,
Phase Transitions In Bicyclic Compounds,
Molecular Crystals and Liquid Crystals, 1984, 104, 1-2, 95-109, https://doi.org/10.1080/00268948408070401
. [all data]
Andreocci, Devillanova, et al., 1980
Andreocci, M.V.; Devillanova, F.A.; Furlani, C.; Mattogno, G.; Verani, G.; Zanoni, R.,
Structural characterization of some substituted azolidine molecules: UPS photoelectron spectroscopic studies,
J. Mol. Struct., 1980, 69, 151. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔsubH° Enthalpy of sublimation at standard conditions - 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.