Urea, N,N'-diphenyl-
- Formula: C13H12N2O
- Molecular weight: 212.2472
- IUPAC Standard InChIKey: GWEHVDNNLFDJLR-UHFFFAOYSA-N
- CAS Registry Number: 102-07-8
- 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: Carbanilide; s-Diphenylurea; N-Phenyl-N'-phenylurea; N,N'-Diphenylurea; sym-Diphenylurea; 1,3-Diphenylurea; Acardite I; Urea, 1,3-diphenyl-; USAF EK-534; Acardite; N,N'-Difenylmocovina; Karbanilid; Diphenylurea; Diphenylcarbamide; 1,3-Diphenylcarbamide; AD 30; NSC 227401
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Phase change data
Go To: Top, Reaction 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:
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 535.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 512.1 | K | N/A | Ferro and DellaGatta, 1987 | Uncertainty assigned by TRC = 3. K; TRC |
Tfus | 510.15 | K | N/A | Sabatier and Mailhe, 1909 | Uncertainty assigned by TRC = 2. K; TRC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
36. ± 1. | 445. to 484. | TE | Ferro and Della Gatta, 1987 | AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.2744 | 512.1 | N/A | Ferro and Della Gatta, 1987 | DH |
8.274 | 512.1 | N/A | Domalski and Hearing, 1996 | See also Acree, 1991.; AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
15.9 | 512.1 | Ferro and Della Gatta, 1987 | DH |
Reaction thermochemistry data
Go To: Top, 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: C13H12N2O = C7H5NO + C6H7N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.4 ± 1.0 | kcal/mol | Eqk | Chimishkyan, Svetlova, et al., 1984 | solid phase; Dissociation |
By formula: C7H5NO + C6H7N = C13H12N2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -21.3 ± 1.2 | kcal/mol | Cm | Pannone and Macosko, 1987 | liquid phase |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Reaction thermochemistry 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
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- 416 |
NIST MS number | 228199 |
References
Go To: Top, Phase change data, Reaction thermochemistry 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.
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]
Ferro and DellaGatta, 1987
Ferro, D.; DellaGatta, G.,
Enthalpies of Subl. and Fusion of Monophenyl and Diphenyl-1,3-urea,
Thermochim. Acta, 1987, 122, 189. [all data]
Sabatier and Mailhe, 1909
Sabatier, P.; Mailhe, A.,
New Applications of the General Method of Hydrogenation with Various Metals,
Ann. Chim. Phys., 1909, 16, 70. [all data]
Ferro and Della Gatta, 1987
Ferro, D.; Della Gatta, G.,
Enthalpies of sublimation and fusion of monophenylurea and diphenyl-1,3-urea,
Thermochim. Acta, 1987, 122, 189-195. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [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]
Chimishkyan, Svetlova, et al., 1984
Chimishkyan, A.L.; Svetlova, L.P.; Leonova, T.V.; Gluyaev, N.D.,
Thermal decomposition of substituted ureas,
J. Gen. Chem. USSR, 1984, 54, 1317-1320. [all data]
Pannone and Macosko, 1987
Pannone, M.C.; Macosko, C.W.,
Kinetics of isocyanate amine reactions,
J. Appl. Polym. Sci., 1987, 34, 2409-2432. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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