o-Terphenyl

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.


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: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas67.59 ± 0.76kcal/molReviewRoux, Temprado, et al., 2008There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.

Condensed phase thermochemistry data

Go To: Top, Gas 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 as indicated in comments:
DH - Eugene S. Domalski and Elizabeth D. Hearing
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
liquid80.571cal/mol*KN/AChang and Bestul, 1972DH
Quantity Value Units Method Reference Comment
Δfsolid42.97 ± 0.74kcal/molReviewRoux, Temprado, et al., 2008There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB
Quantity Value Units Method Reference Comment
solid,1 bar71.417cal/mol*KN/AChang and Bestul, 1972DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
88.205298.15Chang and Bestul, 1972T = 250 to 360 K. Supercooled liquid below Tm 329.35 K.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
65.667298.15Chang and Bestul, 1972T = 2 to 350 K. Also data for annealed and quenched glass.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 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
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil610.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil605.2KN/AWeast and Grasselli, 1989BS
Tboil455.KN/ABlum-Bergmann, 1938Uncertainty assigned by TRC = 25. K; TRC
Quantity Value Units Method Reference Comment
Tfus331. ± 2.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple329.35KN/AChang and Bestul, 1972, 2Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Tc857. ± 5.KN/ATsonopoulos and Ambrose, 1995 
Tc857.KN/AReiter, 1963Uncertainty assigned by TRC = 6. K; TRC
Tc890.9KN/AMandel and Ewbank, 1960Uncertainty assigned by TRC = 16.7 K; TRC
Quantity Value Units Method Reference Comment
Pc30. ± 6.atmN/ATsonopoulos and Ambrose, 1995 
Pc29.51atmN/AReiter, 1963Uncertainty assigned by TRC = 6.0000 atm; TRC
Pc34.54atmN/AMandel and Ewbank, 1960Uncertainty assigned by TRC = 6.805 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.731l/molN/ATsonopoulos and Ambrose, 1995 
Quantity Value Units Method Reference Comment
ρc1.4 ± 0.6mol/lN/ATsonopoulos and Ambrose, 1995 
ρc1.37mol/lN/AReiter, 1963Uncertainty assigned by TRC = 0.087 mol/l; TRC
ρc1.33mol/lN/AMandel and Ewbank, 1960Uncertainty assigned by TRC = 0.13 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap20.1 ± 0.1kcal/molGSVerevkin, 1997Based on data from 335. to 368. K.; AC
Quantity Value Units Method Reference Comment
Δsub24.62 ± 0.1kcal/molMERibeiro da Silva, Santos, et al., 2008Based on data from 312. to 328. K.; AC
Δsub24.6 ± 0.2kcal/molReviewRoux, Temprado, et al., 2008There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB
Δsub23. ± 0.2kcal/molBKimura and Takagi, 1979AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
19.4 ± 0.1352.GSVerevkin, 1997Based on data from 335. to 368. K.; AC
14.5591.DSCBack, Grzyll, et al., 1996Based on data from 576. to 786. K.; AC
18.5403.N/ASasse, N'guimbi, et al., 1989Based on data from 343. to 462. K.; AC
16.4477.AStephenson and Malanowski, 1987Based on data from 462. to 650. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
4.1090329.35N/AChang and Bestul, 1972DH
4.04327.8DSCVerevkin, 1997AC
4.11328.4N/AMurthy, Paikaray, et al., 1995AC
4.11329.4N/AChang, 1972AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
12.48329.35Chang and Bestul, 1972DH
12.5329.4Chang and Bestul, 1972, 2CAL

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)7.99 ± 0.01eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
8.0PEKobayashi, 1983LBLHLM
7.99 ± 0.01PEDewar and Goodman, 1972LLK
8.43CTSSlifkin and Allison, 1967RDSH
8.64 ± 0.05EIGallegos, 1967RDSH
8.2PEKobayashi, 1983Vertical value; LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C17H11+12.0 ± 0.1?EIGallegos, 1967RDSH
C18H12+11.7 ± 0.1H2EIGallegos, 1967RDSH
C18H13+11.7 ± 0.1HEIGallegos, 1967RDSH

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

IR spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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: 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.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

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-8149
NIST MS number 228204

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

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

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

UVVis spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Source Mueller and Pickens, 1950
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. 719
Instrument n.i.g.
Melting point 56.2
Boiling point 332

Gas Chromatography

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, 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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedSE-30200.1876.Shlyakhov, Anvaer, et al., 1975 
PackedPolymethylsiloxane, (PMS-20000)50.1910.1Ainshtein and Shulyatieva, 1972He, Chromosorb W; Column length: 2. m

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51903.Rostad and Pereira, 198630. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min

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

View large format table.

Column type Active phase I Reference Comment
PackedSE-301859.Peng, Ding, et al., 1988Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1886.Radulovic, Dordevic, et al., 201030. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2649.Peng, Yang, et al., 1991Program: not specified

Lee's RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5317.42Marynowski, Pieta, et al., 200460. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 35. C; Tend: 300. C
CapillaryDB-5321.7Durlak, Biswas, et al., 199830. m/0.25 mm/0.25 μm, 15. K/min; Tstart: 50. C; Tend: 300. C
CapillaryDB-5317.43Rostad and Pereira, 198630. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
CapillarySE-52321.99Lee, Vassilaros, et al., 197912. m/0.3 mm/0.34 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C

Lee's RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone316.63Eckel, Ross, et al., 1993Program: not specified
CapillaryMethyl Silicone317.43Eckel, Ross, et al., 1993Program: not specified
CapillarySE-52321.99Shlyakhov, 1984Program: 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.

Roux, Temprado, et al., 2008
Roux, M.V.; Temprado, M.; Chickos, J.S.; Nagano, Y., Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons, J. Phys. Chem. Ref. Data, 2008, 37, 4, 1855-1996. [all data]

Chang and Bestul, 1972
Chang, S.S.; Bestul, A.B., Heat capacity and thermodynamic properties of o-terphenyl crystal, glass and liquid, J. Chem. D Phys., 1972, 56, 503-516. [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]

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]

Blum-Bergmann, 1938
Blum-Bergmann, O., J. Am. Chem. Soc., 1938, 60, 1999. [all data]

Chang and Bestul, 1972, 2
Chang, S.S.; Bestul, A.B., Heat Capacity and Thermodynamic Properties of o-Terphenyl Crystal, Glass, and Liquid, J. Chem. Phys., 1972, 56, 1, 503, https://doi.org/10.1063/1.1676895 . [all data]

Tsonopoulos and Ambrose, 1995
Tsonopoulos, C.; Ambrose, D., Vapor-Liquid Critical Properties of Elements and Compounds. 3. Aromatic Hydrocarbons, J. Chem. Eng. Data, 1995, 40, 547-558. [all data]

Reiter, 1963
Reiter, R.W., , NASA Doc. N63-19495 1963 1963, 1963. [all data]

Mandel and Ewbank, 1960
Mandel, H.; Ewbank, N., , Atomics International NAA-S-R-5129 1960, 1960. [all data]

Verevkin, 1997
Verevkin, S.P., Thermochemistry of substituted benzenes. Experimental standard molar enthalpies of formation of o-, m-, and p-terphenyls and 1,3,5-triphenylbenzene, J. Chem. Thermodyn., 1997, 29, 1495-1501. [all data]

Ribeiro da Silva, Santos, et al., 2008
Ribeiro da Silva, Manuel A.V.; Santos, Luís M.N.B.F.; Lima, Luís M. Spencer S., Standard molar enthalpies of formation and of sublimation of the terphenyl isomers, The Journal of Chemical Thermodynamics, 2008, 40, 3, 375-385, https://doi.org/10.1016/j.jct.2007.08.008 . [all data]

Kimura and Takagi, 1979
Kimura, Takayoshi; Takagi, Sadao, Enthalpies of solution of o-, m-, and p-terphenyls in benzene at 298.15 K, The Journal of Chemical Thermodynamics, 1979, 11, 1, 47-55, https://doi.org/10.1016/0021-9614(79)90082-X . [all data]

Back, Grzyll, et al., 1996
Back, Dwight D.; Grzyll, Lawrence R.; Corrigan, Mary, DSC enthalpy of vaporization measurements of high temperature two-phase working fluids, Thermochimica Acta, 1996, 272, 53-63, https://doi.org/10.1016/0040-6031(95)02615-0 . [all data]

Sasse, N'guimbi, et al., 1989
Sasse, K.; N'guimbi, J.; Jose, J.; Merlin, J.C., Tension de vapeur d'hydrocarbures polyaromatiques dans le domaine 10-3--10 Torr, Thermochimica Acta, 1989, 146, 53-61, https://doi.org/10.1016/0040-6031(89)87075-3 . [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]

Murthy, Paikaray, et al., 1995
Murthy, S.S.N.; Paikaray, A.; Arya, N., Molecular relaxation and excess entropy in liquids and their connection to the structure of glass, J. Chem. Phys., 1995, 102, 20, 8213, https://doi.org/10.1063/1.469232 . [all data]

Chang, 1972
Chang, S.S., Heat Capacity and Thermodynamic Properties of o-Terphenyl Crystal, Glass, and Liquid, J. Chem. Phys., 1972, 56, 1, 503, https://doi.org/10.1063/1.1676895 . [all data]

Kobayashi, 1983
Kobayashi, T., Conformational analysis of terphenyls by photoelectron spectroscopy, Bull. Chem. Soc. Jpn., 1983, 56, 3224. [all data]

Dewar and Goodman, 1972
Dewar, M.J.S.; Goodman, D.W., Photoelectron spectra of molecules. Part 5.--Polycyclic aromatic hydrocarbons, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 1784. [all data]

Slifkin and Allison, 1967
Slifkin, M.A.; Allison, A.C., Measurement of ionization potentials from contact charge transfer spectra, Nature, 1967, 215, 949. [all data]

Gallegos, 1967
Gallegos, E.J., Mass spectrometry of some polyphenyls, J. Phys. Chem., 1967, 71, 1647. [all data]

Mueller and Pickens, 1950
Mueller, G.P.; Pickens, D., 1,2- and 2,3-bis-(p-methoxyphenyl)-cyclohexene, J. Am. Chem. Soc., 1950, 72, 3626-3629. [all data]

Shlyakhov, Anvaer, et al., 1975
Shlyakhov, A.F.; Anvaer, B.I.; Zolotareva, O.V.; Romina, N.N.; Novikova, N.V.; Koreshkova, R.I., On the possibility of group indentification of hydrocarbons by gas chromatography from temperature coefficients of retention indices, Zh. Anal. Khim., 1975, 30, 788-792. [all data]

Ainshtein and Shulyatieva, 1972
Ainshtein, A.A.; Shulyatieva, T.I., Retention indices of alkyl- and arylchlorosilanes, Zh. Anal. Khim., 1972, 27, 816-821. [all data]

Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E., Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603 . [all data]

Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8 . [all data]

Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R., Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae), Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962 . [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]

Marynowski, Pieta, et al., 2004
Marynowski, L.; Pieta, M.; Janeczek, J., Composition and source of polycyclic aromatic compounds in deposited dust from selected sites around the Upper Silesia, Poland, Geol. Q., 2004, 48, 2, 169-180. [all data]

Durlak, Biswas, et al., 1998
Durlak, S.K.; Biswas, P.; Shi, J.; Bernhard, M.J., Characterization of polycyclic aromatic hydrocarbon particulate and gaseous emissions from polystyrene combustion, Environ. Sci. Technol., 1998, 32, 15, 2301-2307, https://doi.org/10.1021/es9709031 . [all data]

Lee, Vassilaros, et al., 1979
Lee, M.L.; Vassilaros, D.L.; White, C.M.; Novotny, M., Retention Indices for Programmed-Temperature Capillary-Column Gas Chromatography of Polycyclic Aromatic Hydrocarbons, Anal. Chem., 1979, 51, 6, 768-773, https://doi.org/10.1021/ac50042a043 . [all data]

Eckel, Ross, et al., 1993
Eckel, W.P.; Ross, B.; Isensee, R.K., Pentobarbital found in ground water, Ground Water, 1993, 31, 5, 801-804, https://doi.org/10.1111/j.1745-6584.1993.tb00853.x . [all data]

Shlyakhov, 1984
Shlyakhov, A.F., Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221. [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