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Carbon tetrabromide

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Gas 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

Quantity Value Units Method Reference Comment
Deltafgas50.21kJ/molReviewChase, 1998Data last reviewed in December, 1963
Deltafgas83.9 ± 3.4kJ/molCcbBickerton, Minas Da Piedade, et al., 1984ALS
Quantity Value Units Method Reference Comment
gas,1 bar358.00J/mol*KReviewChase, 1998Data last reviewed in December, 1963

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. - 6000.
A 105.1468
B 2.487623
C -0.670708
D 0.057056
E -1.342609
F 14.25271
G 476.9760
H 50.20800
ReferenceChase, 1998
Comment Data last reviewed in December, 1963

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:
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
Deltafsolid29.4 ± 3.4kJ/molCcbBickerton, Minas Da Piedade, et al., 1984ALS
Quantity Value Units Method Reference Comment
Deltacsolid-422.9 ± 3.3kJ/molCcbBickerton, Minas Da Piedade, et al., 1984ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
162.3373.Kurbatov, 1948T = 96 to 182°C. Mean Cp, three temperatures.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
145.9298.15Bickerton, Minas Da Piedade, et al., 1984Cp given as 0.44 J/g*K.; DH
128.66300.6Marshall, Staveley, et al., 1956T = 22 to 84°C.; DH
148.4298.Frederick and Hildebrand, 1939T = 298 to 423 K.; DH

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus367.6KN/ASilver and Rudman, 1970Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC
Tfus365.KN/ASharpe and Walker, 1962Uncertainty assigned by TRC = 0.5 K; TRC
Tfus364.05KN/AVanderwerf, Davidson, et al., 1948Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Deltasub54.5 ± 0.7kJ/molCBickerton, Minas Da Piedade, et al., 1984ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
48.2384.AStephenson and Malanowski, 1987Based on data from 369. - 463. K. See also Stull, 1947.; AC
48.3390.N/AKudchadker, Kudchadker, et al., 1979Based on data from 375. - 463. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
369.5 - 462.73.40031152.616-123.007Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
3.95363.2Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
18.58320.Domalski and Hearing, 1996CAL
10.88363.2

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
6.669320.0crystaline, IIcrystaline, IMarshall, Staveley, et al., 1956DH
5.941320.0crystaline, IIcrystaline, IFrederick and Hildebrand, 1939DH
3.954363.2crystaline, IliquidFrederick and Hildebrand, 1939DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
20.84320.0crystaline, IIcrystaline, IMarshall, Staveley, et al., 1956DH
18.57320.0crystaline, IIcrystaline, IFrederick and Hildebrand, 1939DH
10.89363.2crystaline, IliquidFrederick and Hildebrand, 1939DH

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:


Reaction 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:
MS - José A. Martinho Simões
ALS - 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

C8H6MoO3 (solution) + Carbon tetrabromide (solution) = Cyclopentadienylmolybdenumtricarbonyl bromide (solution) + Methane, tribromo- (solution)

By formula: C8H6MoO3 (solution) + CBr4 (solution) = C8H5BrMoO3 (solution) + CHBr3 (solution)

Quantity Value Units Method Reference Comment
Deltar-143.9 ± 8.4kJ/molRSCNolan, López de la Vega, et al., 1986solvent: Tetrahydrofuran; The enthalpy of solution of Mo(Cp)(CO)3(H)(cr) was measured as 8.8 ± 0.4 kJ/mol Nolan, López de la Vega, et al., 1986, 2. Reaction temperature: 323 K; MS

Methane, tribromo- + Bromine = Hydrogen bromide + Carbon tetrabromide

By formula: CHBr3 + Br2 = HBr + CBr4

Quantity Value Units Method Reference Comment
Deltar-7. ± 3.kJ/molEqkKing, Golden, et al., 1971gas phase; ALS

C10H12Mo (cr) + 2Carbon tetrabromide (cr) = C10H10Br2Mo (cr) + 2Methane, tribromo- (l)

By formula: C10H12Mo (cr) + 2CBr4 (cr) = C10H10Br2Mo (cr) + 2CHBr3 (l)

Quantity Value Units Method Reference Comment
Deltar-296.5 ± 4.5kJ/molRSCCalado, Dias, et al., 1980MS

C10H12W (cr) + 2Carbon tetrabromide (cr) = C10H10Br2W (cr) + 2Methane, tribromo- (l)

By formula: C10H12W (cr) + 2CBr4 (cr) = C10H10Br2W (cr) + 2CHBr3 (l)

Quantity Value Units Method Reference Comment
Deltar-302.5 ± 2.2kJ/molRSCCalado, Dias, et al., 1980MS

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 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
B - John E. Bartmess

Quantity Value Units Method Reference Comment
IE (evaluated)10.31 ± 0.02eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
2.0598SIPage and Goode, 1969The Magnetron method, lacking mass analysis, is not considered reliable. G3MP2B3 calculations indicate an EA of ca. 1.4 eV.; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.3 ± 0.2EIKime, Driscoll, et al., 1987LBLHLM
10.8 ± 0.3EIKaposi, Riedel, et al., 1976LLK
10.31 ± 0.02PIWerner, Tsai, et al., 1974LLK
10.54PEDixon, Murrell, et al., 1971Vertical value; LLK
10.39PEPotts, Lempka, et al., 1970Vertical value; RDSH
10.40PEGreen, Green, et al., 1970Vertical value; RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Br+14.5 ± 0.5?EIKaposi, Riedel, et al., 1976LLK
Br+18.1 ± 0.2?EIThorburn, 1965RDSH
Br2+17.2 ± 0.3?EIKaposi, Riedel, et al., 1976LLK
Br2+13.3 ± 0.1?EIDeCorpo and Franklin, 1971LLK
C+23.0 ± 0.5?EIKaposi, Riedel, et al., 1976LLK
C+23.1 ± 0.4?EIThorburn, 1965RDSH
CBr+19.3 ± 0.43BrEIKaposi, Riedel, et al., 1976LLK
CBr+17.5 ± 0.2?EIThorburn, 1965RDSH
CBr+16.35 ± 0.13?EIReed and Snedden, 1958RDSH
CBr2+14.5 ± 0.3?EIKaposi, Riedel, et al., 1976LLK
CBr2+14.6 ± 0.3?EIThorburn, 1965RDSH
CBr2+12.30 ± 0.08?EIReed and Snedden, 1958RDSH
CBr3+11.4 ± 0.3BrEIKaposi, Riedel, et al., 1976LLK
CBr3+10.47 ± 0.02BrPIWerner, Tsai, et al., 1974LLK
CBr3+11.3 ± 0.2BrEIThorburn, 1965RDSH
CBr3+9.95 ± 0.05BrEIReed and Snedden, 1958RDSH

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 Japan AIST/NIMC Database- Spectrum MS-NW-2301
NIST MS number 230282

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, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, 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 Dorr and Buttgereit, 1971
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. 19862
Instrument Zeiss PMQ II
Melting point 91.5-92

Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   Td     Symmetry Number sigma = 12


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 Sym str 267  C  ia 267 p solid solid
e 2 Deg deform 122  C  ia 122 dp solid solid
f2 3 Deg str 672  C 672 VS liq. 671 dp solid solid
f2 4 Deg deform 182  C 182 dp solid solid

Source: Shimanouchi, 1972

Notes

VSVery strong
iaInactive
pPolarized
dpDepolarized
C3~6 cm-1 uncertainty

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, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedOV-1100.1046.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedOV-1125.1060.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedOV-175.1035.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedSP-1000100.1677.81Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedSP-1000125.1690.77Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m

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

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone1050.Zenkevich, 2001Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1054.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, Notes

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

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Bickerton, Minas Da Piedade, et al., 1984
Bickerton, J.; Minas Da Piedade, M.E.; Pilcher, G., Enthalpy of formation of tetrabromomethane by rotating-bomb calorimetry, J. Chem. Thermodyn., 1984, 16, 661-668. [all data]

Kurbatov, 1948
Kurbatov, V.Ya., Heat capacity of liquids. 2. Heat capacity and the temperature dependence of heat capacity from halogen derivatives of acylic hydrocarbons, Zh. Obshch. Kim., 1948, 18, 372-389. [all data]

Marshall, Staveley, et al., 1956
Marshall, J.G.; Staveley, L.A.K.; Hart, K.R., A thermodynamic investigation of the transitions in carbon tetrabromide and ammonium chloride, Trans. Faraday Soc., 1956, 52, 19-31. [all data]

Frederick and Hildebrand, 1939
Frederick, K.J.; Hildebrand, J.H., Specific heats and heats of fusion and transition of carbon tetrabromide, J. Am. Chem. Soc., 1939, 61, 1555-1558. [all data]

Silver and Rudman, 1970
Silver, L.; Rudman, R., Polymorphism of the Crystalline Methylchloromethane Compounds. A Differential Scanning Calorimetric Study, J. Phys. Chem., 1970, 74, 3134-9. [all data]

Sharpe and Walker, 1962
Sharpe, A.N.; Walker, S., Molecular interaction: polarisation studies of mixtures of pyridine with polyhalogenated hydrocarbons, J. Chem. Soc., 1962, 1962, 157. [all data]

Vanderwerf, Davidson, et al., 1948
Vanderwerf, C.A.; Davidson, A.W.; Michaelis, C.I., Compound Formation Betwee 2,6-Lutidine and Polyhalogenated Methanes, J. Am. Chem. Soc., 1948, 70, 908. [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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Kudchadker, Kudchadker, et al., 1979
Kudchadker, A.P.; Kudchadker, S.A.; Shukla, R.P.; Patnaik, P.R., Vapor pressures and boiling points of selected halomethanes, J. Phys. Chem. Ref. Data, 1979, 8, 2, 499, https://doi.org/10.1063/1.555600 . [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]

Nolan, López de la Vega, et al., 1986
Nolan, S.P.; López de la Vega, R.; Hoff, C.D., J. Organometal. Chem., 1986, 315, 187. [all data]

Nolan, López de la Vega, et al., 1986, 2
Nolan, S.P.; López de la Vega, R.; Hoff, C.D., Organometallics, 1986, 5, 2529. [all data]

King, Golden, et al., 1971
King, K.D.; Golden, D.M.; Benson, S.W., Kinetics and thermochemistry of the gas-phase bromination of bromoform. The C-H bond dissociation energy in CHBr3 and the C-Br bond dissociation energy in CBr4, J. Phys. Chem., 1971, 75, 987-989. [all data]

Calado, Dias, et al., 1980
Calado, J.C.G.; Dias, A.R.; Martinho Simões, J.A., J. Organometal. Chem., 1980, 195, 203. [all data]

Page and Goode, 1969
Page, F.M.; Goode, G.C., Negative Ions and the Magnetron., Wiley, NY, 1969. [all data]

Kime, Driscoll, et al., 1987
Kime, Y.J.; Driscoll, D.C.; Dowben, P.A., The stability of the carbon tetrahalide ions, J. Chem. Soc. Faraday Trans. 2, 1987, 83, 403. [all data]

Kaposi, Riedel, et al., 1976
Kaposi, O.; Riedel, M.; Vass-Balthazar, K.; Sanchez, G.R.; Lelik, L., Mass-spectrometric determination of thermochemical data of CHBr3 and CBr4 by study of their electron impact and heterogeneous pyrolytic decompositions, Acta Chim. Acad. Sci. Hung., 1976, 89, 221. [all data]

Werner, Tsai, et al., 1974
Werner, A.S.; Tsai, B.P.; Baer, T., Photoionization study of the ionization potentials fragmentation paths of the chlorinated methanes carbon tetrabromide, J. Chem. Phys., 1974, 60, 3650. [all data]

Dixon, Murrell, et al., 1971
Dixon, R.N.; Murrell, J.N.; Narayan, B., The photoelectron spectra of the halomethanes, Mol. Phys., 1971, 20, 611. [all data]

Potts, Lempka, et al., 1970
Potts, A.W.; Lempka, H.J.; Streets, D.G.; Price, W.C., Photoelectron spectra of the halides of elements in groups III, IV, V and VI, Phil. Trans. Roy. Soc. (London), 1970, A268, 59. [all data]

Green, Green, et al., 1970
Green, J.C.; Green, M.L.H.; Joachim, P.J.; Orchard, A.F.; Turner, D.W., A study of the bonding in the group IV tetrahalides by photoelectron spectroscopy, Phil. Trans. Roy. Soc. (London), 1970, A268, III. [all data]

Thorburn, 1965
Thorburn, R., Ionization and dissociation by electron impact in carbon tetrabromide, Brit. J. Appl. Phys., 1965, 16, 1397. [all data]

DeCorpo and Franklin, 1971
DeCorpo, J.J.; Franklin, J.L., Electron affinities of the halogen molecules by dissociative electron attachment, J. Chem. Phys., 1971, 54, 1885. [all data]

Reed and Snedden, 1958
Reed, R.I.; Snedden, W., Studies in electron impact methods. Part 2. The latent heat of sublimation of carbon, J. Chem. Soc. Faraday Trans., 1958, 54, 301. [all data]

Dorr and Buttgereit, 1971
Dorr, F.; Buttgereit, G., UV atlas of organic compounds, 1971, 5, I/1. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Castello and Gerbino, 1988
Castello, G.; Gerbino, T.C., Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases, J. Chromatogr., 1988, 437, 33-45, https://doi.org/10.1016/S0021-9673(00)90369-8 . [all data]

Zenkevich, 2001
Zenkevich, I.G., Comparative Characterization of Conditions for Unambuguous Chromatographic Identification of Organic Compounds, Zh. Anal. Khim., 2001, 56, 9, 915-924. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, References