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1-Decanol

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-395. ± 10.kJ/molAVGN/AAverage of 6 values; Individual data points

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-478.1 ± 1.1kJ/molCcbMosselman and Dekker, 1975ALS
Deltafliquid-479.74 ± 0.96kJ/molCcbChao and Rossini, 1965see Rossini, 1934; ALS
Deltafliquid-486.1 ± 3.3kJ/molCcbGreen, 1960ALS
Deltafliquid-486.1 ± 3.0kJ/molCcbVerkade and Coops, 1927estimated uncertainty; DRB
Quantity Value Units Method Reference Comment
Deltacliquid-6619. ± 8.kJ/molCcbFreeman and Bagby, 1989Corresponding «DELTA»fliquid = -460. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-6601.1 ± 1.1kJ/molCcbMosselman and Dekker, 1975Corresponding «DELTA»fliquid = -478.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-6599.63 ± 0.75kJ/molCcbChao and Rossini, 1965see Rossini, 1934; Corresponding «DELTA»fliquid = -479.61 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-6593.3 ± 3.3kJ/molCcbGreen, 1960Corresponding «DELTA»fliquid = -485.97 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-6593.1kJ/molCcbVerkade and Coops, 1927Corrected for 298 and 1 atm.; Corresponding «DELTA»fliquid = -486.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
372.98298.15Andreoli-Ball, Patterson, et al., 1988DH
387.8304.05Naziev and Bashirov, 1988T = 304 to 497 K. p = 0.1 MPa. Unsmoothed experimental datum given as 2.45 kJ/kg*K. Cp data given at pressures from 0.1 to 50 MPa.; DH
369.96298.15Costas and Patterson, 1985T = 283.15, 298.15, 313.15 K.; DH
377.8305.79Griigo'ev, Yanin, et al., 1979T = 305 to 463 K. p = 0.98 bar.; DH
377.301.Svensson, 1979T = 301 to 461 K.; DH
377.30303.15Woycicka and Kalinowska, 1975DH

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, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil505. ± 3.KAVGN/AAverage of 16 out of 17 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus279.6KN/ADavies and Kybett, 1965Uncertainty assigned by TRC = 0.5 K; TRC
Tfus280.05KN/ACostello and Bowden, 1958Uncertainty assigned by TRC = 0.4 K; TRC
Tfus277.KN/ABadin, 1943Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Ttriple279.65KN/ASpizzichino, 1956Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Ptriple0.000001barN/ASpizzichino, 1956Uncertainty assigned by TRC = 1.3×10-7 bar; TRC
Quantity Value Units Method Reference Comment
Tc690. ± 10.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Pc23.2 ± 0.5barN/AGude and Teja, 1995 
Pc23.10barN/AQuadri, Khilar, et al., 1991Uncertainty assigned by TRC = 0.60 bar; TRC
Pc23.20barN/ARosenthal and Teja, 1990Uncertainty assigned by TRC = 0.20 bar; TRC
Pc23.20barN/ARosenthal and Teja, 1989Uncertainty assigned by TRC = 0.20 bar; TRC
Quantity Value Units Method Reference Comment
Vc0.649l/molN/AGude and Teja, 1995 
Quantity Value Units Method Reference Comment
rhoc1.54 ± 0.05mol/lN/AGude and Teja, 1995 
rhoc1.67mol/lN/ATeja, Lee, et al., 1989TRC
rhoc1.54mol/lN/AAnselme and Teja, 1988Uncertainty assigned by TRC = 0.04 mol/l; TRC
rhoc1.67mol/lN/AEfremov, 1966Uncertainty assigned by TRC = 0.02 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap82. ± 6.kJ/molAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Deltasub112.5 ± 6.3kJ/molN/AKarnes, Kybett, et al., 1965AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
380.70.009Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
78.180323.15N/ASvensson, 1979No pressure measurement.; DH
79.5309.GSKulikov, Verevkin, et al., 2001Based on data from 281. - 327. K.; AC
81.1293.N/AN'Guimbi, Berro, et al., 1999Based on data from 278. - 378. K.; AC
75.4336.N/AN'Guimbi, Kasehgari, et al., 1992Based on data from 283. - 388. K.; AC
71.6364.AStephenson and Malanowski, 1987Based on data from 349. - 410. K.; AC
62.6420.AStephenson and Malanowski, 1987Based on data from 405. - 528. K.; AC
53.9489.AStephenson and Malanowski, 1987Based on data from 474. - 529. K.; AC
78.2 ± 0.8323.CSvensson, 1979AC
77.6313.N/AWilhoit and Zwolinski, 1973Based on data from 298. - 325. K.; AC
69.5393.DTAKemme and Kreps, 1969Based on data from 378. - 504. K.; AC
77.6311.MEDavies and Kybett, 1965Based on data from 298. - 325. K.; AC
69.6379.N/ARose, Papahronis, et al., 1958Based on data from 364. - 461. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kJ/mol) beta Tc (K) Reference Comment
298. - 323.122.270.4044687.Majer and Svoboda, 1985 

Entropy of vaporization

DeltavapS (J/mol*K) Temperature (K) Reference Comment
241.93323.15Svensson, 1979No; DH

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
349.37 - 406.184.533211742.392-115.236Ambrose, Ellender, et al., 1974Coefficents calculated by NIST from author's data.
400.41 - 528.323.857521373.019-147.727Ambrose and Sprake, 1970Coefficents calculated by NIST from author's data.
378. - 504.3.518691180.306-168.829Kemme and Kreps, 1969 

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
115.5 ± 6.3268.MEKarnes, Kybett, et al., 1965Based on data from 264. - 273. K. See also Stephenson and Malanowski, 1987.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
33.67280.van Miltenburg, Gabrielová, et al., 2003AC
37.66280.1Domanska and Gonzalez, 1997AC

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, 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: John E. Bartmess

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

C10H21O- + Hydrogen cation = 1-Decanol

By formula: C10H21O- + H+ = C10H22O

Quantity Value Units Method Reference Comment
Deltar1560. ± 8.4kJ/molCIDCHaas and Harrison, 1993gas phase; CIDC at 50 eV 1.0 kcal/mol weaker than metastable value.
Quantity Value Units Method Reference Comment
Deltar1533. ± 8.8kJ/molH-TSHaas and Harrison, 1993gas phase; CIDC at 50 eV 1.0 kcal/mol weaker than metastable value.

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
37. QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, 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: John E. Bartmess

De-protonation reactions

C10H21O- + Hydrogen cation = 1-Decanol

By formula: C10H21O- + H+ = C10H22O

Quantity Value Units Method Reference Comment
Deltar1560. ± 8.4kJ/molCIDCHaas and Harrison, 1993gas phase; CIDC at 50 eV 1.0 kcal/mol weaker than metastable value.
Quantity Value Units Method Reference Comment
Deltar1533. ± 8.8kJ/molH-TSHaas and Harrison, 1993gas phase; CIDC at 50 eV 1.0 kcal/mol weaker than metastable value.

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR 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

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 NIST Mass Spectrometry Data Center, 2010
NIST MS number 374910

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.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, 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.

Mosselman and Dekker, 1975
Mosselman, C.; Dekker, H., Enthalpies of formation of n-alkan-1-ols, J. Chem. Soc. Faraday Trans. 1, 1975, 417-424. [all data]

Chao and Rossini, 1965
Chao, J.; Rossini, F.D., Heats of combustion, formation, and isomerization of nineteen alkanols, J. Chem. Eng. Data, 1965, 10, 374-379. [all data]

Rossini, 1934
Rossini, F.D., Heats of combustion and of formation of the normal aliphatic alcohols in the gaseous and liquid states, and the energies of their atomic linkages, J. Res. NBS, 1934, 13, 189-197. [all data]

Green, 1960
Green, J.H.S., Revision of the values of the heats of formation of normal alcohols, Chem. Ind. (London), 1960, 1215-1216. [all data]

Verkade and Coops, 1927
Verkade, P.E.; Coops, J., Jr., Calorimetric researches XIV. Heats of combustion of successive members of homologous series: the normal primary aliphatic alcohols, Recl. Trav. Chim. Pays-Bas, 1927, 46, 903-917. [all data]

Freeman and Bagby, 1989
Freeman, B.; Bagby, M.O., Heats of combustion of fatty esters and triglycerides, J. Am. Oil Chem. Soc., 1989, 66, 1601-1605. [all data]

Andreoli-Ball, Patterson, et al., 1988
Andreoli-Ball, L.; Patterson, D.; Costas, M.; Caceres-Alonso, M., Heat capacity and corresponding states in alkan-1-ol-n-alkane systems, J. Chem. Soc., Faraday Trans. 1, 1988, 84(11), 3991-4012. [all data]

Naziev and Bashirov, 1988
Naziev, Ya.M.; Bashirov, M.M., Isobaric specific heats of higher alcohols at elevated pressures, Teplofiz. Vysok. Temp., 1988, 26, 58-62. [all data]

Costas and Patterson, 1985
Costas, M.; Patterson, D., Self-association of alcohols in inert solvents, J. Chem. Soc., Faraday Trans. 1, 1985, 81, 635-654. [all data]

Griigo'ev, Yanin, et al., 1979
Griigo'ev, B.A.; Yanin, G.S.; Rastorguev, Yu.L.; Thermophysical parameters of alcohols, Tr. GIAP, 54, 1979, 57-64. [all data]

Svensson, 1979
Svensson, Ch., Enthalpies of vaporization of 1-decanol and 1-dodecanol and their influence on the CH2-increment for the enthalpies of formation, J. Chem. Thermodynam., 1979, 11, 593-596. [all data]

Woycicka and Kalinowska, 1975
Woycicka, M.K.; Kalinowska, B., Enthalpies of mixing and excess heat capacities of dilute solutions of n-decanol with n-heptane and n-tridecane, Bull. Acad. Pol. Sci., Ser. Sci. Chim., 1975, 23, 759-764. [all data]

Davies and Kybett, 1965
Davies, M.; Kybett, B., Sublimation and vaporization heats of long-chain alcohols, Trans. Faraday Soc., 1965, 61, 1608. [all data]

Costello and Bowden, 1958
Costello, J.M.; Bowden, S.T., The Temperature Variation of Orthobaric Density Difference in Liquid-Vapor Systems III. Alcohols, Recl. Trav. Chim. Pays-Bas, 1958, 77, 36-46. [all data]

Badin, 1943
Badin, E.J., J. Am. Chem. Soc., 1943, 65, 1809. [all data]

Spizzichino, 1956
Spizzichino, C., Contribution a l'etude des tensions de vapeur et des chaleurs de vaporisation des acides gras, esters methyliques et alcools gras a des pressions inferieures a 1 mm de mercure, J. des Recherches du C.N.R.S., 1956, 34, 1-24. [all data]

Gude and Teja, 1995
Gude, M.; Teja, A.S., Vapor-Liquid Critical Properties of Elements and Compounds. 4. Aliphatic Alkanols, J. Chem. Eng. Data, 1995, 40, 1025-1036. [all data]

Quadri, Khilar, et al., 1991
Quadri, S.K.; Khilar, K.C.; Kudchadker, A.P.; Patni, M.J., Measurement of the critical temperatures and critical pressures of some thermally stable or mildly unstable alkanols, J. Chem. Thermodyn., 1991, 23, 67-76. [all data]

Rosenthal and Teja, 1990
Rosenthal, D.J.; Teja, A.S., The Critical Pressures and temperatures of Isomeric Alkanols, Ind. Eng. Chem. to be published 1990 1990, 1990. [all data]

Rosenthal and Teja, 1989
Rosenthal, D.J.; Teja, A.S., Critical pressures and temperatures of isomeric alkanols, Ind. Eng. Chem. Res., 1989, 28, 1693. [all data]

Teja, Lee, et al., 1989
Teja, A.S.; Lee, R.J.; Rosenthal, D.J.; Anselme, M.J., Correlation of the Critical Properties of Alkanes and Alkanols in 5th IUPAC Conference on Alkanes and AlkanolsGradisca, 1989. [all data]

Anselme and Teja, 1988
Anselme, M.J.; Teja, A.S., Critical Temperatures and Densities of Isomeric Alkanols with Six to Ten Carbon Atoms, Fluid Phase Equilib., 1988, 40, 127-34. [all data]

Efremov, 1966
Efremov, Yu.V., Density, Surface Tension, Saturated Vapor Pressurs and Critical Parameters of Alcohols, Zh. Fiz. Khim., 1966, 40, 1240. [all data]

Karnes, Kybett, et al., 1965
Karnes, H.A.; Kybett, B.D.; Wilson, M.H.; Margrave, J.L.; Newman, M.S., Strain energies in hydrocarbons from heats of combustion. III. 3,4,5,6- and 2,4,5,7-tetramethylphenanthrenes, J. Am. Chem. Soc., 1965, 87, 5554-5558. [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]

Kulikov, Verevkin, et al., 2001
Kulikov, Dmitry; Verevkin, Sergey P.; Heintz, Andreas, Enthalpies of vaporization of a series of aliphatic alcohols, Fluid Phase Equilibria, 2001, 192, 1-2, 187-207, https://doi.org/10.1016/S0378-3812(01)00633-1 . [all data]

N'Guimbi, Berro, et al., 1999
N'Guimbi, J.; Berro, C.; Mokbel, I.; Rauzy, E.; Jose, J., Experimental vapour pressures of 13 secondary and tertiary alcohols---correlation and prediction by a group contribution method, Fluid Phase Equilibria, 1999, 162, 1-2, 143-158, https://doi.org/10.1016/S0378-3812(99)00168-5 . [all data]

N'Guimbi, Kasehgari, et al., 1992
N'Guimbi, J.; Kasehgari, H.; Mokbel, I.; Jose, J., Tensions de vapeur d'alcools primaires dans le domaine 0,3 Pa à 1,5 kPa, Thermochimica Acta, 1992, 196, 2, 367-377, https://doi.org/10.1016/0040-6031(92)80100-B . [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]

Wilhoit and Zwolinski, 1973
Wilhoit, R.C.; Zwolinski, B.J., Physical and thermodynamic properties of aliphatic alcohols, J. Phys. Chem. Ref. Data Suppl., 1973, 1, 2, 1. [all data]

Kemme and Kreps, 1969
Kemme, Herbert R.; Kreps, Saul I., Vapor pressure of primary n-alkyl chlorides and alcohols, J. Chem. Eng. Data, 1969, 14, 1, 98-102, https://doi.org/10.1021/je60040a011 . [all data]

Rose, Papahronis, et al., 1958
Rose, Arthur; Papahronis, B.; Williams, E., Experimental Measurement of Vapor-Liquid Equilibria for Octanol-Decanol and Decanol-Dodecanol Binaries., Ind. Eng. Chem. Chem. Eng. Data Series, 1958, 3, 2, 216-219, https://doi.org/10.1021/i460004a008 . [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Ambrose, Ellender, et al., 1974
Ambrose, D.; Ellender, J.H.; Sprake, C.H.S., Thermodynamic properties of organic oxygen compounds XXXV. Vapour pressures of aliphatic alcohols, The Journal of Chemical Thermodynamics, 1974, 6, 9, 909-914, https://doi.org/10.1016/0021-9614(74)90235-3 . [all data]

Ambrose and Sprake, 1970
Ambrose, D.; Sprake, C.H.S., Thermodynamic properties of organic oxygen compounds XXV. Vapour pressures and normal boiling temperatures of aliphatic alcohols, The Journal of Chemical Thermodynamics, 1970, 2, 5, 631-645, https://doi.org/10.1016/0021-9614(70)90038-8 . [all data]

van Miltenburg, Gabrielová, et al., 2003
van Miltenburg, J. Cees; Gabrielová, Hana; Ruzicka, Kvetoslav, Heat Capacities and Derived Thermodynamic Functions of 1-Hexanol, 1-Heptanol, 1-Octanol, and 1-Decanol between 5 K and 390 K, J. Chem. Eng. Data, 2003, 48, 5, 1323-1331, https://doi.org/10.1021/je0340856 . [all data]

Domanska and Gonzalez, 1997
Domanska, U.; Gonzalez, J.A., Solid-liquid equilibria for systems containing long-chain 1-alkanols III. Experimental data for 1-tetradecanol, 1-hexadecanol, 1-octadecanol or 1-icosanol + 1-butanol, 1-hexanol, 1-octanol or 1-decanol mixtures. Characterization in terms of DISQUAC, Fluid Phase Equilibria, 1997, 129, 1-2, 139-163, https://doi.org/10.1016/S0378-3812(96)03150-0 . [all data]

Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References