Urea, phenyl-
- Formula: C7H8N2O
- Molecular weight: 136.1512
- IUPAC Standard InChIKey: LUBJCRLGQSPQNN-UHFFFAOYSA-N
- CAS Registry Number: 64-10-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Monophenylurea; N-Phenylurea; Phenylcarbamide; Phenylurea; Stabilisator VH; Stabilizer VH; VH; 1-Phenylurea; PC; NSC 2781; Urea, N-phenyl
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Condensed phase thermochemistry data
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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -231.5 ± 2.2 | kJ/mol | Ccb | Kulagina and Kiparisova, 1987 | |
ΔfH°solid | -218.6 ± 2.4 | kJ/mol | Ccb | Simirsky, Kabo, et al., 1987 | Heat of combustion is not reported |
ΔfH°solid | -215. | kJ/mol | Ccb | Schmidt and Becker, 1933 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -3666.4 ± 2.2 | kJ/mol | Ccb | Kulagina and Kiparisova, 1987 | |
ΔcH°solid | -3684. | kJ/mol | Ccb | Schmidt and Becker, 1933 |
Phase change data
Go To: Top, Condensed phase thermochemistry 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 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 | 511.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 420.6 | K | N/A | Ferro and DellaGatta, 1987 | Uncertainty assigned by TRC = 0.3 K; TRC |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
136. ± 6. | 406. | TE | Ferro and Della Gatta, 1987 | Based on data from 392. to 412. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
23.680 | 420.6 | Ferro and Della Gatta, 1987 | DH |
23.68 | 420.6 | Acree, 1991 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
56.3 | 420.6 | Ferro and Della Gatta, 1987 | DH |
Gas phase ion energetics 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
8.55 | EI | Baldwin, Loudon, et al., 1976 |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C6H7N+ | 10.1 | ? | EI | Baldwin, Loudon, et al., 1976 | |
C7H7N2O+ | 9.50 | ? | EI | Baldwin, Loudon, et al., 1976 |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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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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- 195 |
NIST MS number | 228378 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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.
Kulagina and Kiparisova, 1987
Kulagina, T.G.; Kiparisova, E.G.,
Enthalpies of combustion and of formation of derivatives of carbamide,
Russ. J. Phys. Chem. (Engl. Transl.), 1987, 61, 261-262. [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]
Schmidt and Becker, 1933
Schmidt, V.A.; Becker, F.,
Die Bildungswarme von Nitrocellulofen, Nitroglycerin und anderen widuigen Beltandteilen von Treibmitteln,
Z. Gesamte Schiess Sprengstoffwes., 1933, 33, 280-282. [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]
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]
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]
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]
Baldwin, Loudon, et al., 1976
Baldwin, M.A.; Loudon, A.G.; Maccoll, A.; Webb, K.S.,
The nature and fragmentation pathways of the molecular ions of some arylureas, arylthioureas, acetanilides, thioacetanilides and related compounds,
Org. Mass Spectrom., 1976, 11, 1181. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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