1,2-Ethanediol

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Phase change data

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

Quantity Value Units Method Reference Comment
Tboil470.5 ± 0.5KAVGN/AAverage of 27 out of 31 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus261. ± 2.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple256.6KN/AKnauth and Sabbah, 1990Uncertainty assigned by TRC = 0.2 K; TRC
Ttriple260.6KN/AWilhoit, Chao, et al., 1985Uncertainty assigned by TRC = 0.2 K; TRC
Ttriple260.6KN/ANikolaev and Rabinovich, 1967Uncertainty assigned by TRC = 0.2 K; TRC
Ttriple260.8KN/AParks and Kelley, 1925Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tc720.KN/ANikitin, Pavlov, et al., 1993Uncertainty assigned by TRC = 4. K; TRC
Tc720.KN/ATeja and Rosenthal, 1991Uncertainty assigned by TRC = 1. K; TRC
Tc718.KN/ATeja and Anselme, 1990Uncertainty assigned by TRC = 1. K; TRC
Tc645.KN/AStephens and Tamplin, 1979Uncertainty assigned by TRC = 30. K; TC data from Union Carbide Corp.; TRC
Tc790.KN/AArtemchenko, 1972Uncertainty assigned by TRC = 30. K; TRC
Quantity Value Units Method Reference Comment
Pc82.00barN/ANikitin, Pavlov, et al., 1993Uncertainty assigned by TRC = 2.00 bar; TRC
Pc90.00barN/ATeja and Rosenthal, 1991Uncertainty assigned by TRC = 1.00 bar; TRC
Pc131.00barN/ALyons, 1985Uncertainty assigned by TRC = 10.00 bar; TRC
Quantity Value Units Method Reference Comment
Δvap65. ± 3.kJ/molAVGN/AAverage of 13 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
62.4 ± 4.0345.N/APetitjean, Reyes-Perez, et al., 2010Based on data from 307. to 384. K.; AC
57.4385.TGAAl-Najjar and Al-Sammerrai, 2007Based on data from 363. to 408. K.; AC
65.2338.AStephenson and Malanowski, 1987Based on data from 323. to 473. K.; AC
62.5378.AStephenson and Malanowski, 1987Based on data from 363. to 418. K.; AC
68. ± 2.409.VGardner and Hussain, 1972ALS
64.0338.N/AJones and Tamplin, 1952Based on data from 323. to 473. K. See also Gardner and Hussain, 1972.; AC
61.9 ± 6.3273.VGallaugher and Hibbert, 1937Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 57.07 kJ/mol; ALS
61.1383.N/ASchierholtz and Staples, 1935Based on data from 363. to 403. K.; AC
57.3436.N/ASchierholtz and Staples, 1935Based on data from 403. to 470. K.; AC
61.1410.N/Ade Forcrand, 1901Based on data from 395. to 459. 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
323. to 473.4.970121914.951-84.996Jones and Tamplin, 1952, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
9.958260.6Nikolaev and Rabinovich, 1967, 2DH
11.623260.8Parks and Kelley, 1925, 2DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
38.21260.6Nikolaev and Rabinovich, 1967, 2DH
44.57260.8Parks and Kelley, 1925, 2DH

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, 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
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

View reactions leading to C2H6O2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)815.9kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity773.6kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.16EIHolmes and Lossing, 1982LBLHLM
10.55PEOhno, Imai, et al., 1985Vertical value; LBLHLM
10.55PEKimura, Katsumata, et al., 1981Vertical value; LLK
10.5PEVon Niessen, Bieri, et al., 1980Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH3O+11.12 ± 0.05CH2OHEIHolmes and Lossing, 1984LBLHLM
CH3O+12.5 ± 0.15CH2O+HEIHolmes, Lossing, et al., 1983LBLHLM
CH4O+[CH2OH2+]11.42 ± 0.05CH2OEIHolmes, Lossing, et al., 1982LBLHLM
CH5O+[CH3OH2+]10.7 ± 0.1CHOEIBurgers, Holmes, et al., 1987LBLHLM

De-protonation reactions

C2H5O2- + Hydrogen cation = 1,2-Ethanediol

By formula: C2H5O2- + H+ = C2H6O2

Quantity Value Units Method Reference Comment
Δr1528. ± 10.kJ/molG+TSCrowder and Bartmess, 1993gas phase; B
Quantity Value Units Method Reference Comment
Δr1510. ± 8.4kJ/molIMRECrowder and Bartmess, 1993gas phase; B

Mass spectrum (electron ionization)

Go To: Top, 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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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
NIST MS number 341866

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References

Go To: Top, 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.

Knauth and Sabbah, 1990
Knauth, P.; Sabbah, R., Can. J. Chem., 1990, 68, 731. [all data]

Wilhoit, Chao, et al., 1985
Wilhoit, R.C.; Chao, J.; Hall, K.R., Thermodynamic Properties of Key Organic Compounds in the Carbon Range C1 to C4. Part 1. Properties of Condensed Phases, J. Phys. Chem. Ref. Data, 1985, 14, 1. [all data]

Nikolaev and Rabinovich, 1967
Nikolaev, P.N.; Rabinovich, I.B., Zh. Fiz. Khim., 1967, 41, 9, 2191. [all data]

Parks and Kelley, 1925
Parks, G.S.; Kelley, K.K., Thermal Data on Organic Compounds II. The Heat Capacities of Five Organic Compounds. The Entropies and Free Energies of Some Homologous Series of Aliphatic Compounds, J. Am. Chem. Soc., 1925, 47, 2089-97. [all data]

Nikitin, Pavlov, et al., 1993
Nikitin, E.D.; Pavlov, P.A.; Skripov, P.V., Measurement of the critical properties of thermally unstable substances and mixtures by the pulse-heating method, J. Chem. Thermodyn., 1993, 25, 869-80. [all data]

Teja and Rosenthal, 1991
Teja, A.S.; Rosenthal, D.J., The critical pressures and temperatures of ten substances using a low residence time flow apparatus in Experimental Results for Phase Equilibria and Pure Component Properties, DIPPR DATA Series No. 1, 1991. [all data]

Teja and Anselme, 1990
Teja, A.S.; Anselme, M.J., The critical properties of thermally stable and unstable fluids. I. 1985 results, AIChE Symp. Ser., 1990, 86, 279, 115-21. [all data]

Stephens and Tamplin, 1979
Stephens, M.A.; Tamplin, W.S., Saturated Liquid SPecific Heats of Ethylene GLycol Homologues, J. Chem. Eng. Data, 1979, 24, 81-2. [all data]

Artemchenko, 1972
Artemchenko, A.I., Fiz. Khim. Rastvorov, 1972, 1972, 128-34. [all data]

Lyons, 1985
Lyons, R.L., The determination of critical properties and vapor pressure of thermally stable and unstable compounds, M. S. Thesis, 1985. [all data]

Petitjean, Reyes-Perez, et al., 2010
Petitjean, M.; Reyes-Perez, E.; Perez, D.; Mirabel, Ph.; Le Calve, S., Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K, J. Chem. Eng. Data, 2010, 55, 2, 852-855, https://doi.org/10.1021/je9004905 . [all data]

Al-Najjar and Al-Sammerrai, 2007
Al-Najjar, Hazim; Al-Sammerrai, Dhoaib, Thermogravimetric determination of the heat of vaporization of some highly polar solvents, J. Chem. Technol. Biotechnol., 2007, 37, 3, 145-152, https://doi.org/10.1002/jctb.280370302 . [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]

Gardner and Hussain, 1972
Gardner, P.J.; Hussain, K.S., The standard enthalpies of formation of some aliphatic diols, J. Chem. Thermodyn., 1972, 4, 819-827. [all data]

Jones and Tamplin, 1952
Jones, W.S.; Tamplin, W.S., Chapter 9. Physical Properties of Propylene Glycol in Glycols. American Chemical Society Monograph 114, G.O. Curme, Jr., ed(s)., Reinhold, New York, 1952, 210-240. [all data]

Gallaugher and Hibbert, 1937
Gallaugher, A.F.; Hibbert, H., Studies on reactions relating to carbohydrates and polysaccharides. LV. Vapor pressures of the polyethylene glycols and their derivatives, J. Am. Chem. Soc., 1937, 59, 2521-2525. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Schierholtz and Staples, 1935
Schierholtz, O.J.; Staples, M.L., Vapor Pressures of Certain Glycols, J. Am. Chem. Soc., 1935, 57, 12, 2709-2711, https://doi.org/10.1021/ja01315a106 . [all data]

de Forcrand, 1901
de Forcrand, M., Compt. Rend., 1901, 132, 688. [all data]

Jones and Tamplin, 1952, 2
Jones, W.S.; Tamplin, W.S., Chapter 3. Physical Properties of Ethylene Glycol in Glycols, George O. Curme, Jr., ed(s)., Reinhold Publishing Corporation, 330 West Forty-Second Street, New York, U.S.A., 1952, 27-62. [all data]

Nikolaev and Rabinovich, 1967, 2
Nikolaev, P.N.; Rabinovich, I.B., Heat capacity of ethylene glycol and ethylene deuteroglycol in the temperature range 80-300K, Zhur. Fiz. Khim., 1967, 41, 2191-2194. [all data]

Parks and Kelley, 1925, 2
Parks, G.S.; Kelley, K.K., Thermal data on organic compounds. II. The heat capacities of five organic compounds. The entropies and free energies of some homologous series of aliphatic compounds, J. Am. Chem. Soc., 1925, 47, 2089-2097. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Holmes and Lossing, 1982
Holmes, J.L.; Lossing, F.P., Towards a general scheme for estimating the heats of formation of organic ions in the gas phase. Part II. The effect of substitution at charge-bearing sites, Can. J. Chem., 1982, 60, 2365. [all data]

Ohno, Imai, et al., 1985
Ohno, K.; Imai, K.; Harada, Y., Variations in reactivity of lone-pair electrons due to intramolecular hydrogen bonding as observed by penning ionization electron spectroscopy, J. Am. Chem. Soc., 1985, 107, 8078. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Von Niessen, Bieri, et al., 1980
Von Niessen, W.; Bieri, G.; Asbrink, L., 30.4 nm He(II) photoelectron spectra of organic molecules. Part III. Oxo-compounds (C,H,O), J. Electron Spectrosc. Relat. Phenom., 1980, 21, 175. [all data]

Holmes and Lossing, 1984
Holmes, J.L.; Lossing, F.P., Heats of formation of organic radicals from appearance energies, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 113. [all data]

Holmes, Lossing, et al., 1983
Holmes, J.L.; Lossing, F.P.; Terlouw, J.K.; Burgers, P.C., Novel gas-phase ions. The radical cations [CH2XH]+. (X = F, Cl, Br, I, OH, NH2, SH) and [CH2CH2NH3]+., Can. J. Chem., 1983, 61, 2305. [all data]

Holmes, Lossing, et al., 1982
Holmes, J.L.; Lossing, F.P.; Terlouw, J.K.; Burgers, P.C., The radical cation [CH2OH2]+ and related stable gas phase ion-dipole complexes, J. Am. Chem. Soc., 1982, 104, 2931. [all data]

Burgers, Holmes, et al., 1987
Burgers, P.C.; Holmes, J.L.; Hop, C.E.C.A.; Postma, R.; Ruttink, P.J.A.; Terlouw, J.K., The isomeric [C2H6O2]+ hydrogen-bridged radical cations [CH2-O(H)...H...O=CH2]+, [CH3-O...H...O=CH2]+, and [CH3-O(H)...H...O=CH]+: Theory and experiment, J. Am. Chem. Soc., 1987, 109, 7315. [all data]

Crowder and Bartmess, 1993
Crowder, C.; Bartmess, J., The Gas Phase Acidities of Diols, J. Am. Soc. Mass Spectrom., 1993, 4, 9, 723, https://doi.org/10.1016/1044-0305(93)80051-Y . [all data]


Notes

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References