Urea, N,N'-diethyl-
- Formula: C5H12N2O
- Molecular weight: 116.1616
- IUPAC Standard InChIKey: ZWAVGZYKJNOTPX-UHFFFAOYSA-N
- CAS Registry Number: 623-76-7
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Urea, 1,3-diethyl-; sym-Diethylurea; sym-N,N'-Diethylurea; N,N'-Diethylurea; 1,3-Diethylurea
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Gas phase thermochemistry data
Go To: Top, Phase change 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -67.61 ± 0.50 | kcal/mol | Ccb | Kabo, Miroshnichenko, et al., 1990 |
Phase change 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 536.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 383.4 | K | N/A | DellaGatta and Ferro, 1987 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 385. | K | N/A | Kabo, Miroshnichenko, et al., 1990, 2 | Uncertainty assigned by TRC = 0.00001 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 22.8 ± 0.07 | kcal/mol | GS | Emel'yanenko, Kabo, et al., 2006 | Based on data from 343. to 379. K.; AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
21.9 ± 0.2 | 358. | ME | Zaitsau, Kabo, et al., 2003 | Based on data from 323. to 384. K.; AC |
22.1 ± 0.2 | 350. | ME | Zaitsau, Kabo, et al., 2003 | Based on data from 323. to 384. K.; AC |
22.8 ± 0.1 | 350. | C | Zaitsau, Kabo, et al., 2003 | AC |
23.2 ± 0.2 | 354. | C | Kabo, Miroshnichenko, et al., 1990 | ALS |
23.1 ± 0.2 | 361. | TE | Piacente, Ferro, et al., 1990 | Based on data from 321. to 379. K. See also Ferro, Barone, et al., 1987.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.9780 | 383.4 | Della Gatta and Ferro, 1987 | DH |
2.978 | 383.4 | Acree, 1991 | See also Kabo, Kozyro, et al., 1995 and Kabo, Miroshnichenko, et al., 1990.; AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.77 | 383.4 | Della Gatta and Ferro, 1987 | DH |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.4469 | 339.4 | crystaline, II | crystaline, I | Della Gatta and Ferro, 1987 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
13.2 | 339.4 | crystaline, II | crystaline, I | Della Gatta and Ferro, 1987 | DH |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Phase change data, 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. 2386 |
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) |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kabo, Miroshnichenko, et al., 1990
Kabo, G.Ya.; Miroshnichenko, E.A.; Frenkel, M.L.; Kozyro, A.A.; Simirskii, V.V.; Krasulin, A.P.; Vorob'eva, V.P.; Lebedev, Yu.A.,
Thermochemistry of urea alkyl derivatives,
Bull. Acad. Sci. USSR, Div. Chem. Sci., 1990, 662-667. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
DellaGatta and Ferro, 1987
DellaGatta, G.; Ferro, D.,
Enthalpies of fusion and solid-to-solid transition, entropies of fusion for urea and twelve alkylurea,
Thermochim. Acta, 1987, 122, 143-52. [all data]
Kabo, Miroshnichenko, et al., 1990, 2
Kabo, G.Ya.; Miroshnichenko, E.A.; Frenkel, M.L.; Kozyro, A.A.; Simirsky, V.V.; Krasulin, A.P.; Vorob'eva, V.P.; Lebedev, Yu.A.,
Thermochemistry of Alkyl Derivatives of Urea,
Izv. Akad. Nauk SSSR, Ser. Khim., 1990, No. 4, 750-5. [all data]
Emel'yanenko, Kabo, et al., 2006
Emel'yanenko, Vladimir N.; Kabo, Gennady J.; Verevkin, Sergey P.,
Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea,
J. Chem. Eng. Data, 2006, 51, 1, 79-87, https://doi.org/10.1021/je050230z
. [all data]
Zaitsau, Kabo, et al., 2003
Zaitsau, Dz; Kabo, G.J.; Kozyro, A.A.; Sevruk, V.M.,
The effect of the failure of isotropy of a gas in an effusion cell on the vapor pressure and enthalpy of sublimation for alkyl derivatives of carbamide,
Thermochimica Acta, 2003, 406, 1-2, 17-28, https://doi.org/10.1016/S0040-6031(03)00231-4
. [all data]
Piacente, Ferro, et al., 1990
Piacente, V.; Ferro, D.; Gatta, G. Della,
Sublimation enthalpy of eleven alkyl derivatives of urea,
Thermochimica Acta, 1990, 158, 1, 79-85, https://doi.org/10.1016/0040-6031(90)80054-3
. [all data]
Ferro, Barone, et al., 1987
Ferro, D.; Barone, G.; Della Gatta, G.; Piacente, V.,
Vapour pressures and sublimation enthalpies of urea and some of its derivatives,
The Journal of Chemical Thermodynamics, 1987, 19, 9, 915-923, https://doi.org/10.1016/0021-9614(87)90038-3
. [all data]
Della Gatta and Ferro, 1987
Della Gatta, G.; Ferro, D.,
Enthalpies of fusion and solid-to-solid transition, entropies of fusion for urea and twelve alkylureas,
Thermochim. Acta, 1987, 122, 143-152. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Kabo, Kozyro, et al., 1995
Kabo, Gennady J.; Kozyro, Alexander A.; Diky, Vladimir V.; Simirsky, Vladimir V.,
Additivity of Thermodynamic Properties of Organic Compounds in Crystalline State. 2. Heat Capacities and Enthalpies of Phase Transition of Alkyl Derivatives of Urea in Crystalline State,
J. Chem. Eng. Data, 1995, 40, 2, 371-393, https://doi.org/10.1021/je00018a005
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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