Urea, N,N-diethyl-
- Formula: C5H12N2O
- Molecular weight: 116.1616
- IUPAC Standard InChIKey: TUMNHQRORINJKE-UHFFFAOYSA-N
- CAS Registry Number: 634-95-7
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Other names: Urea, 1,1-diethyl-; Asym-Diethylurea; N,N-Diethylurea; 1,1-Diethylurea
- Information on this page:
- Other data available:
- 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, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 342.3 | K | N/A | DellaGatta and Ferro, 1987 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tfus | 348.430 | K | N/A | Krasulin, Kozyro, et al., 1986 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 348.0 | K | N/A | Kabo, Miroshnichenko, et al., 1990 | Uncertainty assigned by TRC = 0.00001 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 95.7 ± 0.7 | kJ/mol | GS | Emel'yanenko, Kabo, et al., 2006 | Based on data from 312. to 339. K.; AC |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
96.800 | 326. | N/A | Krasulin, Kozyro, et al., 1986, 2 | DH |
95.5 ± 0.8 | 324. | ME | Zaitsau, Kabo, et al., 2003 | Based on data from 305. to 347. K.; AC |
94.9 ± 0.8 | 350. | ME | Zaitsau, Kabo, et al., 2003 | Based on data from 305. to 347. K.; AC |
94.7 ± 0.2 | 350. | C | Zaitsau, Kabo, et al., 2003 | AC |
99.9 ± 1.1 | 320. | C | Kabo, Miroshnichenko, et al., 1990, 2 | see Simirsky, Kabo, et al., 1987; ALS |
Entropy of sublimation
ΔsubS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
296.9 | 326. | Krasulin, Kozyro, et al., 1986, 2 | DH |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
16.780 | 342.3 | Della Gatta and Ferro, 1987 | DH |
16.78 | 342.3 | Acree, 1991 | See also Kabo, Kozyro, et al., 1995 and Kabo, Miroshnichenko, et al., 1990, 2.; AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
49.0 | 342.3 | Della Gatta and Ferro, 1987 | DH |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
2.000 | 195. to 225. | crystaline, II | crystaline, I | Krasulin, Kozyro, et al., 1986, 2 | Reversible transition.; DH |
16.100 | 384.43 | crystaline, I | liquid | Krasulin, Kozyro, et al., 1986, 2 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
9.61 | 195. to 225. | crystaline, II | crystaline, I | Krasulin, Kozyro, et al., 1986, 2 | Reversible; DH |
41.9 | 384.43 | crystaline, I | liquid | Krasulin, Kozyro, et al., 1986, 2 | DH |
Mass spectrum (electron ionization)
Go To: Top, 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: 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-4670 |
NIST MS number | 230637 |
References
Go To: Top, Phase change data, 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.
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]
Krasulin, Kozyro, et al., 1986
Krasulin, A.P.; Kozyro, A.A.; Dalidovich, S.V.,
Thermodynamic properties of N,N-diethylurea,
Zh. Fiz. Khim., 1986, 60, 2580-3. [all data]
Kabo, Miroshnichenko, et al., 1990
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]
Krasulin, Kozyro, et al., 1986, 2
Krasulin, A.P.; Kozyro, A.A.; Dalidovich, S.V.,
Thermodynamic properties of N,N-diethylurea,
Zhur. Fiz. Khim., 1986, 60, 2580-2583. [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]
Kabo, Miroshnichenko, et al., 1990, 2
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]
Simirsky, Kabo, et al., 1987
Simirsky, V.V.; Kabo, G.J.; Frenkel, M.L.,
Additivity of the enthalpies of formation of urea derivatives in the crystalline state,
J. Chem. Thermodyn., 1987, 19, 1121-1127. [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, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔsubS Entropy of sublimation - 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.