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Phenothiazine

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, 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
Deltafgas66.49 ± 0.45kcal/molCcrSabbah and El Watik, 1992 

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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafsolid39.84 ± 0.45kcal/molCcrSabbah and El Watik, 1992 
Deltafsolid11.88kcal/molCcbTavernier and Lamouroux, 1957Author's hf298_condensed=12.415 kcal/mol
Quantity Value Units Method Reference Comment
Deltacsolid-1619.7 ± 0.38kcal/molCcrSabbah and El Watik, 1992 
Deltacsolid-1591.80kcal/molCcbTavernier and Lamouroux, 1957Author's hf298_condensed=12.415 kcal/mol

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, Kenneth Kroenlein director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil644.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Tfus458.39KN/ADonnelly, Drewes, et al., 1990Uncertainty assigned by TRC = 0.2 K; TRC
Tfus457.5KN/APlato and Glasgow, 1969Uncertainty assigned by TRC = 0.2 K; TRC
Tfus458.5KN/APlato and Glasgow, 1969Uncertainty assigned by TRC = 0.2 K; TRC
Tfus457.55KN/ACullinane and Rees, 1940Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Deltasub26.637 ± 0.088kcal/molCSabbah and El Watik, 1992ALS
Deltasub27.37 ± 0.1kcal/molCSabbah and El Watik, 1992AC

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
20.6351.AStephenson and Malanowski, 1987Based on data from 336. - 395. K. See also Nelson and Smith, 1942.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
6.1329458.40N/ASabbah and El Watik, 1992DH
6.79457.2DSCGupta, Singh, et al., 2007AC
6.14458.4N/ASabbah and El Watik, 1992AC
6.434458.2N/AAcree, 1991AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
6.74 ± 0.07CTSPoltorakov, Pirnazarova, et al., 1973LLK
6.87CTSPozharskii, Kashparov, et al., 1971LLK
7.625SKitagawa, 1968RDSH
7.7PIKitagawa, 1968RDSH
6.96 ± 0.19CTSFulton and Lyons, 1968RDSH
7.26 ± 0.08PEDomelsmith, Munchausen, et al., 1977Vertical value; LLK

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass 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 Tox21 Consortium/NIST Mass Spectrometry Data Center, 2012
NIST MS number 408667

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

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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 by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source VanAllan, Reynolds, et al., 1962
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 318
Instrument n.i.g.
Melting point 187.5
Boiling point 371

Gas Chromatography

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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
PackedOV-1012010.Maurer and Pfleger, 1988N2, Chromosorb G HP, 100. C @ 3. min, 30. K/min, 310. C @ 5. min; Column length: 0.6 m
PackedOV-1012010.Maurer and Pfleger, 1988N2, Chromosorb G HP, 100. C @ 3. min, 30. K/min, 310. C @ 5. min; Column length: 0.6 m
PackedOV-1012010.Maurer and Pfleger, 1988N2, Chromosorb G HP, 100. C @ 3. min, 30. K/min, 310. C @ 5. min; Column length: 0.6 m

Kovats' RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
PackedOV-1012030.McLinden and Stenhouse, 1979N2, Chromosorb W; Column length: 2. m; Program: not specified

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
PackedSE-302010.Perrigo and Peel, 1981N2, Chromosorb W, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 1.8 m

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
OtherMethyl Silicone2024.Ardrey and Moffat, 1981Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Sabbah and El Watik, 1992
Sabbah, R.; El Watik, L., Etude thermodynamique de la phenoxazine et de la phenotiazine, Thermochim. Acta, 1992, 197, 381-390. [all data]

Tavernier and Lamouroux, 1957
Tavernier, P.; Lamouroux, M., Determinations calorimetriques relatives a vingt et une substances organiques, Mem. Poudres, 1957, 39, 335-356. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Donnelly, Drewes, et al., 1990
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W., Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry, Thermochim. Acta, 1990, 167, 2, 155, https://doi.org/10.1016/0040-6031(90)80476-F . [all data]

Plato and Glasgow, 1969
Plato, C.; Glasgow, A.R., Jr., Differential scanning calorimetry as a general method for determining the purity and heat of fusion of high-purity organic chemicals. Application to 95 compounds, Anal. Chem., 1969, 41, 2, 330, https://doi.org/10.1021/ac60271a041 . [all data]

Cullinane and Rees, 1940
Cullinane, N.M.; Rees, W.T., Isomorphous relationships of some organic compounds of analogous constitution, Trans. Faraday Soc., 1940, 36, 507. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Nelson and Smith, 1942
Nelson, O.A.; Smith, L.E., The Vapor Pressure of Phenothiazine 1, J. Am. Chem. Soc., 1942, 64, 12, 3035-3037, https://doi.org/10.1021/ja01264a086 . [all data]

Gupta, Singh, et al., 2007
Gupta, R.K.; Singh, S.K.; Singh, R.A., Some physicochemical studies on organic eutectics, Journal of Crystal Growth, 2007, 300, 2, 415-420, https://doi.org/10.1016/j.jcrysgro.2006.12.017 . [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]

Poltorakov, Pirnazarova, et al., 1973
Poltorakov, A.P.; Pirnazarova, F.N.; But, P.G.; Piruzyan, L.A.; Chibrikin, V.M.; Vikjlyaev, Yu.I.; Ul'yanova, O.V., Ionization potentials of phenothiazine derivatives and their correlation with the parmacologic effect, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1973, 22, 2050, In original 2106. [all data]

Pozharskii, Kashparov, et al., 1971
Pozharskii, A.F.; Kashparov, I.S.; Holls, P.J.; Zaletov, V.G., Hetrocyclic pleiadiene analogs. VI. Electronic properties of perimidine, Chem. Heterocycl. Compd., 1971, 4, 503, In original 543. [all data]

Kitagawa, 1968
Kitagawa, T., Absorption spectra and photoionization of polycyclic aromatics in vacuum ultraviolet region, J. Mol. Spectry., 1968, 26, 1. [all data]

Fulton and Lyons, 1968
Fulton, A.; Lyons, L.E., The ionization energies of some phenothiazine tranquillizers and molecules of similar structure, Australian J. Chem., 1968, 21, 873. [all data]

Domelsmith, Munchausen, et al., 1977
Domelsmith, L.N.; Munchausen, L.L.; Houk, K.N., Photoelectron spectra of psychotropic drugs. 2. Phenothiazine and related tranquilizers, J. Am. Chem. Soc., 1977, 99, 6506. [all data]

VanAllan, Reynolds, et al., 1962
VanAllan, J.A.; Reynolds, G.A.; Adel, R.E., Polynuclear heterocycles. I. 1H-benzo[b]pyrido[1,2,3-mn]phenoxazin-1-one and related substances, J. Org. Chem., 1962, 27, 1659-1664. [all data]

Maurer and Pfleger, 1988
Maurer, H.; Pfleger, K., Identification of phenothiazine antihistamines and their metabolites in urine, Arch. Toxicol., 1988, 62, 2-3, 185-191, https://doi.org/10.1007/BF00570138 . [all data]

McLinden and Stenhouse, 1979
McLinden, V.J.; Stenhouse, A.M., A chromatography system for drug identification, Forensic Sci. Int., 1979, 13, 71-79, https://doi.org/10.1016/0379-0738(79)90265-2 . [all data]

Perrigo and Peel, 1981
Perrigo, B.J.; Peel, H.W., The use of retention indices and temperature-programmed gas chromatography in analytical toxicology, J. Chromatogr. Sci., 1981, 19, 5, 219-226, https://doi.org/10.1093/chromsci/19.5.219 . [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References