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
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -65.08 ± 0.38 | kcal/mol | Ccb | Kabo, Miroshnichenko, et al., 1990 | see Simirsky, Kabo, et al., 1987 |
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 as indicated in comments:
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 |
---|---|---|---|---|---|
ΔfH°solid | -88.96 ± 0.27 | kcal/mol | Ccb | Kabo, Miroshnichenko, et al., 1990 | see Simirsky, Kabo, et al., 1987; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -791.19 ± 0.21 | kcal/mol | Ccb | Kabo, Miroshnichenko, et al., 1990 | see Simirsky, Kabo, et al., 1987; ALS |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
44.26 | 300. | Krasulin, Kozyro, et al., 1986 | T = 140 to 310 K.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 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, 2 | 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, 2 | Uncertainty assigned by TRC = 0.00001 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 22.9 ± 0.2 | kcal/mol | GS | Emel'yanenko, Kabo, et al., 2006 | Based on data from 312. to 339. K.; AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
23.136 | 326. | N/A | Krasulin, Kozyro, et al., 1986 | DH |
22.8 ± 0.2 | 324. | ME | Zaitsau, Kabo, et al., 2003 | Based on data from 305. to 347. K.; AC |
22.7 ± 0.2 | 350. | ME | Zaitsau, Kabo, et al., 2003 | Based on data from 305. to 347. K.; AC |
22.6 ± 0.05 | 350. | C | Zaitsau, Kabo, et al., 2003 | AC |
23.9 ± 0.26 | 320. | C | Kabo, Miroshnichenko, et al., 1990 | see Simirsky, Kabo, et al., 1987; ALS |
Entropy of sublimation
ΔsubS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
70.96 | 326. | Krasulin, Kozyro, et al., 1986 | DH |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
4.0105 | 342.3 | Della Gatta and Ferro, 1987 | DH |
4.011 | 342.3 | 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 |
---|---|---|---|
11.7 | 342.3 | Della Gatta and Ferro, 1987 | DH |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.4780 | 195. to 225. | crystaline, II | crystaline, I | Krasulin, Kozyro, et al., 1986 | Reversible transition.; DH |
3.8480 | 384.43 | crystaline, I | liquid | Krasulin, Kozyro, et al., 1986 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
2.30 | 195. to 225. | crystaline, II | crystaline, I | Krasulin, Kozyro, et al., 1986 | Reversible; DH |
10.0 | 384.43 | crystaline, I | liquid | Krasulin, Kozyro, et al., 1986 | DH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.
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]
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]
Krasulin, Kozyro, et al., 1986
Krasulin, A.P.; Kozyro, A.A.; Dalidovich, S.V.,
Thermodynamic properties of N,N-diethylurea,
Zhur. Fiz. Khim., 1986, 60, 2580-2583. [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]
Krasulin, Kozyro, et al., 1986, 2
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, 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]
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, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions 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
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