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1,4-Dioxane

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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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-315.30 ± 0.80kJ/molCcrBystrm and Mansson, 1982Reanalyzed by Cox and Pilcher, 1970, Original value = -316.5 ± 0.9 kJ/mol; ALS
Deltafgas-318. ± 2.kJ/molCcbSnelson and Skinner, 1961ALS
Quantity Value Units Method Reference Comment
gas299.91J/mol*KN/AStull D.R., 1969GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
33.8550.Dorofeeva O.V., 1992p=1 bar. Selected values are in close agreement with statistical values calculated by [ Ellestad O.H., 1971, Thermodynamics Research Center, 1997]. Heat capacities calculated by [ Malherbe F.E., 1952] are 2-3 J/mol*K larger than those given here.; GT
41.06100.
51.71150.
63.63200.
84.31273.15
92.1 ± 1.5298.15
92.71300.
124.76400.
153.97500.
178.64600.
199.16700.
216.33800.
230.78900.
243.021000.
253.431100.
262.321200.
269.941300.
276.491400.
282.151500.

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-355.13 ± 0.86kJ/molCcrBystrm and Mansson, 1982ALS
Deltafliquid-353.5 ± 0.8kJ/molCcbSnelson and Skinner, 1961ALS
Quantity Value Units Method Reference Comment
Deltacliquid-2362.23 ± 0.99kJ/molCcrBystrm and Mansson, 1982Corresponding «DELTA»fliquid = -355.13 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-2363.9 ± 0.50kJ/molCcbSnelson and Skinner, 1961Corresponding «DELTA»fliquid = -353.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-2346.2kJ/molCcbRoth and Meyer, 1933Corrected for pressure and temperature; Corresponding «DELTA»fliquid = -371.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-2186.8kJ/molCcbHerz and Lorentz, 1929Corresponding «DELTA»fliquid = -530.57 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid196.6J/mol*KN/AJacobs and Parks, 1934Extrapolation below 90 K, 11.12 cal/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
149.65298.15Grolier, Roux-Desgranges, et al., 1993DH
150.57298.15Trejo, Costas, et al., 1991DH
149.489298.15Barta, Kooner, et al., 1989DH
150.65298.15Grolier, Inglese, et al., 1984DH
150.77298.15Inglese, Grolier, et al., 1984DH
149.73298.15Inglese, Castagnolo, et al., 1981DH
149.0298.Murthy and Subrahmanyam, 1979DH
149.298.15Bonner and Cerutti, 1976DH
140.2298.Conti, Gianni, et al., 1976DH
155.6298.Deshpande and Bhatagadde, 1971T = 298 to 318 K.; DH
147.9298.15Hyder Khan and Subrahmanyam, 1971T = 298; 313 K.; DH
147.9298.Subrahmanyam and Khan, 1969DH
152.97298.2Jacobs and Parks, 1934T = 92 to 299 K. Value is unsmoothed experimental datum.; DH
146.0291.Roth and Meyer, 1933T = 8 to 28°C.; DH
154.8296.Herz and Lorentz, 1929DH

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
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
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
Tboil374.3 ± 0.8KAVGN/AAverage of 21 out of 22 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus285. ± 1.KAVGN/AAverage of 18 out of 19 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple284.1KN/AJacobs and Parks, 1934, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc587.3KN/ACristou, Young, et al., 1991Uncertainty assigned by TRC = 1. K; TRC
Tc588.15KN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 2. K; TRC
Tc588.KN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 2. K; TRC
Tc585.15KN/AHojendahl, 1946Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Pc54.7155barN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 3.0398 bar; TRC
Pc52.10barN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 0.6894 bar; TRC
Pc50.00barN/AHojendahl, 1946Uncertainty assigned by TRC = 0.70 bar; by extrapolation of vapor pressure to critical temperature; TRC
Quantity Value Units Method Reference Comment
Vc0.239l/molN/ACristou, Young, et al., 1991Uncertainty assigned by TRC = 0.008 l/mol; TRC
Vc0.239l/molN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 0.004 l/mol; TRC
Quantity Value Units Method Reference Comment
rhoc4.09mol/lN/AHojendahl, 1946Uncertainty assigned by TRC = 0.11 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap38. ± 4.kJ/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
34.16374.5N/AMajer and Svoboda, 1985 
38.300.AStephenson and Malanowski, 1987Based on data from 285. - 375. K.; AC
36.5350.N/ACastellari, Comelli, et al., 1984Based on data from 329. - 372. K.; AC
37.3308.N/AVinson and Martin, 1963Based on data from 293. - 398. K. See also Boublik, Fried, et al., 1984.; AC
35.8273.VGallaugher and Hibbert, 1937ALS
37.318.N/AHovorka, Schaefer, et al., 1936Based on data from 283. - 353. 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
293. - 378.4.581351570.093-31.297Crenshaw, Cope, et al., 1938Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
35.6255.AStull, 1947Based on data from 237. - 272. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
12.84284.1Domalski and Hearing, 1996AC
11.880283.2Roth and Meyer, 1933DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
41.9283.2Roth and Meyer, 1933DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
8.79272.9Domalski and Hearing, 1996CAL
45.19284.1

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
2.351272.9crystaline, IIcrystaline, IJacobs and Parks, 1934DH
12.845284.1crystaline, IliquidJacobs and Parks, 1934DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
8.6272.9crystaline, IIcrystaline, IJacobs and Parks, 1934DH
45.2284.1crystaline, IliquidJacobs and Parks, 1934DH

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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

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

C3H7O+ + 1,4-Dioxane = (C3H7O+ bullet 1,4-Dioxane)

By formula: C3H7O+ + C4H8O2 = (C3H7O+ bullet C4H8O2)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar126.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar126.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar87.9kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C4H9O2+ + 1,4-Dioxane = (C4H9O2+ bullet 1,4-Dioxane)

By formula: C4H9O2+ + C4H8O2 = (C4H9O2+ bullet C4H8O2)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar129.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar132.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar90.0kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

Sodium ion (1+) + 1,4-Dioxane = (Sodium ion (1+) bullet 1,4-Dioxane)

By formula: Na+ + C4H8O2 = (Na+ bullet C4H8O2)

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
101.298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

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
140. QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
140. MN/AValue at T = 303. K.
220. MN/A 
210. XN/AValue given here as quoted by missing citation.
200.5800.MN/A 

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:
HL - Edward P. Hunter and Sharon G. Lias
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

View reactions leading to C4H8O2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.19 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)797.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity770.0kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.19 ± 0.01PIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982LBLHLM
9.13 ± 0.03PIWatanabe, Nakayama, et al., 1962RDSH
9.4PEBieri, Asbrink, et al., 1982Vertical value; LBLHLM
9.43PEKimura, Katsumata, et al., 1981Vertical value; LLK
9.41PEKobayashi and Nagakura, 1973Vertical value; LLK
9.3 ± 0.1SIGol'denfel'd, Korostyshevskii, et al., 1973Vertical value; LLK
9.43PESweigart and Turner, 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO+11.60 ± 0.10C3H7OPIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982T = 298K; LBLHLM
CH2O+11.41 ± 0.05C3H6OPIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982T = 298K; LBLHLM
CH3O+11.35 ± 0.10C3H5OPIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982T = 298K; LBLHLM
C2H3O+11.96 ± 0.10C2H5OPIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982T = 298K; LBLHLM
C2H3O+12.92?EICollin and Conde, 1966RDSH
C2H4+11.90 ± 0.102CH2O/C2H4O2PIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982T = 298K; LBLHLM
C2H4O+10.39 ± 0.05C2H4OPIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982T = 298K; LBLHLM
C2H4O+10.90?EICollin and Conde, 1966RDSH
C2H5O+10.46 ± 0.05C2H3OPIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982T = 298K; LBLHLM
C3H5O+11.20 ± 0.10CH3OPIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982T = 298K; LBLHLM
C3H6O+10.65CH2OPIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982T = 0K; LBLHLM
C3H6O+10.56 ± 0.10CH2OPIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982T = 298K; LBLHLM
C3H6O+11.CH2OEICollin and Conde, 1966RDSH
C4H7O2+10.95HEICollin and Conde, 1966RDSH

Ion clustering 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C3H7O+ + 1,4-Dioxane = (C3H7O+ bullet 1,4-Dioxane)

By formula: C3H7O+ + C4H8O2 = (C3H7O+ bullet C4H8O2)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar126.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar126.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar87.9kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C4H9O2+ + 1,4-Dioxane = (C4H9O2+ bullet 1,4-Dioxane)

By formula: C4H9O2+ + C4H8O2 = (C4H9O2+ bullet C4H8O2)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar129.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar132.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar90.0kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

Sodium ion (1+) + 1,4-Dioxane = (Sodium ion (1+) bullet 1,4-Dioxane)

By formula: Na+ + C4H8O2 = (Na+ bullet C4H8O2)

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
101.298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

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, Ion clustering data, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, 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, Ion clustering data, IR Spectrum, UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, 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, 1990.
NIST MS number 118696

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, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, 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

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UVVis spectrum
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Additional Data

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Source Pickett, Hoeflich, et al., 1951
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. 3275
Instrument Hilger fluorite prism spectrograph
Melting point 11.8
Boiling point 101.5

Vibrational and/or electronic energy levels

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, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, 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: Takehiko Shimanouchi

Symmetry:   C2h     Symmetry Number sigma = 2


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

ag 1 CH2 a-str 2968  C  ia 2968 S p liq.
ag 2 CH2 s-str 2856  C  ia 2856 S p liq.
ag 3 CH2 scis 1444  C  ia 1444 M p liq.
ag 4 CH2 wag 1397  C  ia 1397 W p liq.
ag 5 CH2 twist 1305  C  ia 1305 S p liq.
ag 6 CH2 rock 1128  C  ia 1128 M p liq.
ag 7 CC str 1015  C  ia 1015 S p liq.
ag 8 CO str 837  C  ia 837 VS p liq.
ag 9 OCC deform 435  C  ia 435 M liq.
ag 10 COC deform 424  C  ia 424 M p liq.
au 11 CH2 a-str 2970  C 2970 M gas  ia
au 12 CH2 s-str 2863  C 2863 VS gas  ia
au 13 CH2 scis 1449  C 1449 S gas  ia
au 14 CH2 wag 1369  C 1369 S gas  ia
au 15 CH2 twist 1256  C 1256 S gas  ia
au 16 CO str 1136  C 1136 VS gas  ia
au 17 CH2 rock 1086  C 1086 S gas  ia
au 18 CC str 881  C 881 S gas  ia
au 19 OCC deform 288  C 288 W sh gas  ia
bg 20 CH2 a-str 2968  C  ia 2968 S p liq. SF(«nu»1)
bg 21 CH2 s-str 2856  C  ia 2856 S p liq. SF(«nu»2)
bg 22 CH2 scis 1459  C  ia 1459 M dp liq.
bg 23 CH2 wag 1335  C  ia 1335 W liq.
bg 24 CH2 twist 1217  C  ia 1217 M dp liq.
bg 25 CO str 1110  C  ia 1110 M dp liq.
bg 26 CH2 rock 853  C  ia 853 M sh dp liq.
bg 27 OCC deform 490  C  ia 490 M dp liq.
bu 28 CH2 a-str 2970  C 2970 M gas  ia SF(«nu»11)
bu 29 CH2 a-str 2863  C 2863 VS gas  ia SF(«nu»12)
bu 30 CH2 scis 1457  C 1457 S gas  ia
bu 31 CH2 wag 1378  C 1378 M gas  ia
bu 32 CH2 twist 1291  C 1291 S gas  ia
bu 33 CH2 rock 1052  C 1052 S gas  ia
bu 34 CO str 889  C 889 S gas  ia
bu 35 OCC deform 610  C 610 S gas  ia
bu 36 COC deform 274  C 274 S gas  ia

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
iaInactive
shShoulder
pPolarized
dpDepolarized
SFCalculation shows that the frequency approximately equals that of the vibration indicated in the parentheses.
C3~6 cm-1 uncertainty

Gas Chromatography

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, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, NIST Free Links, 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
PackedC78, Branched paraffin130.670.1Dallos, Sisak, et al., 2000He; Column length: 3.3 m
PackedPorapack Q200.648.Gawdzik and Matynia, 1994H2; Column length: 1. m
PackedSE-30120.690.Kowalski, 1992He, Gas Chrom Q (100-120 mesh); Column length: 0.25 m
PackedC78, Branched paraffin130.669.7Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
PackedApolane130.671.Dutoit, 1991Column length: 3.7 m
PackedOV-101150.731.3Maeck, Touabet, et al., 1989N2, Chromosorb G HP; Column length: 2. m
PackedOV-101120.718.Fernández-Sánchez, Fernández-Torres, et al., 1987N2, Chromosorb W AW DMCS (80-100 mesh); Column length: 2. m
PackedSqualane80.643.Kersten and Poole, 1987N2; Column length: 3.5 m
PackedSE-30150.705.Tiess, 1984Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
PackedSE-30100.721.Winskowski, 1983Gaschrom Q; Column length: 2. m
PackedPorapack Q200.648.Goebel, 1982N2
PackedApiezon L120.687.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.702.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApolane70.660.3Riedo, Fritz, et al., 1976He, Chromosorb; Column length: 2.4 m
PackedApiezon L100.680.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedDC-200100.697.Rohrschneider, 1966Column length: 4. m
PackedSqualane100.651.Rohrschneider, 1966Column length: 5. m
PackedApiezon L100.687.Rohrschneider, 1966Column length: 5. m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCBP-1690.Shimadzu, 200325. m/0.2 mm/0.25 «mu»m, He, 50. C @ 5. min, 4. K/min; Tend: 200. C

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M80.1065.Kersten and Poole, 1987N2, Chromosorb W-AW; Column length: 3.5 m
PackedCarbowax 20M75.1093.Goebel, 1982N2, Kieselgur (60-100 mesh); Column length: 2. m
PackedPEG-2000150.1097.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000180.1100.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedCarbowax 20M100.1081.Rohrschneider, 1966Column length: 2. m

Kovats' RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCBP-201065.Shimadzu, 200325. m/0.2 mm/0.25 «mu»m, He, 50. C @ 5. min, 4. K/min; Tend: 200. C

Kovats' RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPEG-20M1066.Slizhov and Gavrilenko, 2001He; Column length: 10. m; Column diameter: 0.2 mm; Program: not specified

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedPolydimethyl siloxane120.696.Tello, Lebron-Aguilar, et al., 2009 
PackedPolydimethyl siloxane120.696.Tello, Lebron-Aguilar, et al., 2009 
PackedPolydimethyl siloxane120.698.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane105.694.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane75.690.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane90.692.Tello, Lebron-Aguilar, et al., 2009 
CapillaryMethyl Silicone100.693.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.696.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone140.699.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone80.690.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.696.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.696.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.697.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryDB-160.680.Shimadzu, 2003, 260. m/0.32 mm/1. «mu»m, He
PackedApieson L120.694.Kurdina, Markovich, et al., 1969not specified, not specified
PackedApieson L120.694.Kurdina, Markovich, et al., 1969not specified, not specified

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5705.Spadone, Takeoka, et al., 1990H2, 16. K/min; Column length: 50. m; Column diameter: 0.3 mm; Tstart: 80. C; Tend: 250. C

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

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Column type Active phase I Reference Comment
CapillarySPB-1690.Flanagan, Streete, et al., 199760. m/0.53 mm/5. «mu»m, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryMethyl Silicone702.Zenkevich, Korolenko, et al., 1995Program: not specified
CapillarySPB-1690.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1696.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: not specified
CapillaryCP Sil 8 CB706.Weller and Wolf, 198940. m/0.25 mm/0.25 «mu»m, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C
CapillaryOV-1692.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.686.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1687.Ramsey and Flanagan, 1982Program: not specified

Normal alkane RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-Wax60.1085.Shimadzu, 2003, 250. m/0.32 mm/1. «mu»m, He
PackedPEG100.1105.Dowling, Evans, et al., 1990Phasesep W (10 %)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1083.Shimadzu, 201230. m/0.32 mm/0.50 «mu»m, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C
CapillaryDB-Wax1083.Shimadzu Corporation, 200330. m/0.32 mm/0.5 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 260. C
CapillaryDB-Wax1068.Duque, Bonilla, et al., 200130. m/0.25 mm/0.25 «mu»m, Helium, 4. K/min, 220. C @ 30. min; Tstart: 25. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPolyethylene Glycol1084.Zenkevich, Korolenko, et al., 1995Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.1066.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 20M1065.Ramsey and Flanagan, 1982Program: not specified

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, Ion clustering 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.

Bystrm and Mansson, 1982
Bystrm, K.; Mansson, M., Enthalpies of formation of some cyclic 1,3- and 1,4-Di- and poly-ethers: Thermochemical strain in the -O-C-O and -O-C-C-O- groups, J. Chem. Soc. Perkin Trans. 2, 1982, 565. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Snelson and Skinner, 1961
Snelson, A.; Skinner, H.A., Heats of combustion: sec-propanol, 1,4-dioxan, 1,3-dioxan and tetrahydropyran, Trans. Faraday Soc., 1961, 57, 2125-2131. [all data]

Stull D.R., 1969
Stull D.R., Jr., The Chemical Thermodynamics of Organic Compounds. Wiley, New York, 1969. [all data]

Dorofeeva O.V., 1992
Dorofeeva O.V., Ideal gas thermodynamic properties of oxygen heterocyclic compounds. Part 2. Six-membered, seven-membered and eight-membered rings, Thermochim. Acta, 1992, 200, 121-150. [all data]

Ellestad O.H., 1971
Ellestad O.H., The vibrational spectra of 1,4-dioxan-d0 and 1,4-dioxan-d8, Spectrochim. Acta, 1971, A27, 1025-1048. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Malherbe F.E., 1952
Malherbe F.E., The infrared and Raman spectra of p-dioxane, J. Am. Chem. Soc., 1952, 74, 4408-4410. [all data]

Roth and Meyer, 1933
Roth, W.A.; Meyer, I., Einige physikalisch-chemische konstanten des dioxans, Z. Electrochem., 1933, 39, 35-37. [all data]

Herz and Lorentz, 1929
Herz, W.; Lorentz, E., Physikalisch-chemische Untersuchungen an Dioxan, Z. Phys. Chem., 1929, 140, 406-422. [all data]

Jacobs and Parks, 1934
Jacobs, C.J.; Parks, G.S., Thermal data on organic compounds. XIV. Some heat capacity, entropy and free energy data for cyclic substances, J. Am. Chem. Soc., 1934, 56, 1513-1517. [all data]

Grolier, Roux-Desgranges, et al., 1993
Grolier, J.-P.E.; Roux-Desgranges, G.; Berkane, M.; Jimenez, E.; Wilhelm, E., Heat capacities and densities of mixtures of very polar substances 2. Mixtures containing N,N-dimethylformamide, J. Chem. Thermodynam., 1993, 25(1), 41-50. [all data]

Trejo, Costas, et al., 1991
Trejo, L.M.; Costas, M.; Patterson, D., Excess heat capacity of organic mixtures, Internat. DATA Series, Selected Data Mixt., 1991, Ser. [all data]

Barta, Kooner, et al., 1989
Barta, L.; Kooner, Z.S.; Hepler, L.G.; Roux-Desgranges, G.; Grolier, J.-P.E., Thermodynamics of complex formation in chloroform and 1,4-dioxane, Can. J. Chem., 1989, 67, 1225-1229. [all data]

Grolier, Inglese, et al., 1984
Grolier, J.-P.E.; Inglese, A.; Wilhelm, E., Excess molar heat capacities of (1,4-dioxane + an n-alkane): an unusual composition dependence, J. Chem. Thermodynam., 1984, 16, 67-71. [all data]

Inglese, Grolier, et al., 1984
Inglese, A.; Grolier, J.-P.E.; Wilhelm, E., Excess volumes and excess heat capacities of oxane + cyclohexane and 1,4-dioxane + cyclohexane, Fluid Phase Equilibria, 1984, 15, 287-294. [all data]

Inglese, Castagnolo, et al., 1981
Inglese, A.; Castagnolo, M.; Dell'Atti, A.; DeGiglio, A., Thermochim. Acta, 1981, 77-87. [all data]

Murthy and Subrahmanyam, 1979
Murthy, N.M.; Subrahmanyam, S.V., Behavior of excess heat capacity of the water + p-dioxane system, Indian J. Pure Appl. Phys., 1979, 17(9), 620-622. [all data]

Bonner and Cerutti, 1976
Bonner, O.D.; Cerutti, P.J., The partial molar heat capacities of some solutes in water and deuterium oxide, J. Chem. Thermodynam., 1976, 8, 105-111. [all data]

Conti, Gianni, et al., 1976
Conti, G.; Gianni, P.; Matteoli, E.; Mengheri, M., Capacita termiche molari di alcuni composti organici mono- e bifunzionali nel liquido puro e in soluzione acquosa a 25C, Chim. Ind. (Milan), 1976, 58, 225. [all data]

Deshpande and Bhatagadde, 1971
Deshpande, D.D.; Bhatagadde, L.G., Heat capacities at constant volume, free volumes, and rotational freedom in some liquids, Aust. J. Chem., 1971, 24, 1817-1822. [all data]

Hyder Khan and Subrahmanyam, 1971
Hyder Khan, V.; Subrahmanyam, S.V., Excess thermodynamic functions of the systems: benzene + p-xylene and benzene + p-dioxan, Trans. Faraday Soc., 1971, 67, 2282-2291. [all data]

Subrahmanyam and Khan, 1969
Subrahmanyam, S.V.; Khan, V.H., Thermodynamics of the system benzene - p-dioxane, Curr. Sci., 1969, 38, 510-511. [all data]

Jacobs and Parks, 1934, 2
Jacobs, C.J.; Parks, G.S., Thermal data on organic compounds. XIV. Some heat capacity, entropy and free energy data for cyclic substances, J. Am. Chem. Soc., 1934, 56, 1513-17. [all data]

Cristou, Young, et al., 1991
Cristou, G.; Young, C.L.; Svejda, P., Fluid Phase Equilibria, 1991, 67, 45-53. [all data]

Glaser and Ruland, 1957
Glaser, F.; Ruland, H., Untersuchungsen über dampfdruckkurven und kritische daten einiger technisch wichtiger organischer substanzen, Chem. Ing. Techn., 1957, 29, 772. [all data]

Kobe, Ravicz, et al., 1956
Kobe, K.A.; Ravicz, A.E.; Vohra, S.P., Critical Properties and Vapor Pressures of Some Ethers and Heterocyclic Compounds, J. Chem. Eng. Data, 1956, 1, 50. [all data]

Hojendahl, 1946
Hojendahl, K., Dielectric Constant, Viscosity, Surface Tension, and Critical Data of Boron Tribromide, Dioxane, and Ethylene Dichloride, Mat.-Fys. Medd. - K. Dan. Vidensk. Selsk., 1946, 24, 1. [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]

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]

Castellari, Comelli, et al., 1984
Castellari, Carlo; Comelli, Fabio; Francesconi, Romolo, Vapor-liquid equilibria in binary systems containing 1,3-dioxolane at isobaric conditions. 4. Binary mixtures of 1,3-dioxolane with 1,4-dioxane and 1,1,2,2-tetrachloroethane, J. Chem. Eng. Data, 1984, 29, 2, 126-128, https://doi.org/10.1021/je00036a008 . [all data]

Vinson and Martin, 1963
Vinson, Carl G.; Martin, Joseph J., Heat of Vaporization and Vapor Pressure of 1,4-Dioxane., J. Chem. Eng. Data, 1963, 8, 1, 74-75, https://doi.org/10.1021/je60016a021 . [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [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]

Hovorka, Schaefer, et al., 1936
Hovorka, Frank; Schaefer, Ralph A.; Dreisbach, Dale, The System Dioxane and Water, J. Am. Chem. Soc., 1936, 58, 11, 2264-2267, https://doi.org/10.1021/ja01302a051 . [all data]

Crenshaw, Cope, et al., 1938
Crenshaw, J.L.; Cope, A.C.; Finkelstein, N.; Rogan, R., The Dioxanates of the Mercuric Halides, J. Am. Chem. Soc., 1938, 60, 10, 2308-2311, https://doi.org/10.1021/ja01277a010 . [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]

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]

Larson and McMahon, 1982
Larson, J.W.; McMahon, T.B., Formation, Thermochemistry, and Relative Stabilities of Proton - Bound dimers of Oxygen n - Donor Bases from Ion Cyclotron Resonance Solvent - Exchange Equilibria Measurements, J. Am. Chem. Soc., 1982, 104, 23, 6255, https://doi.org/10.1021/ja00387a016 . [all data]

Grimsrud and Kebarle, 1973
Grimsrud, E.P.; Kebarle, P., Gas Phase Ion Equilibria Studies of the Solvation of the Hydrogen Ion by Methanol, Dimethyl Ether and Water. Effect of Hydrogen Bonding, J. Am. Chem. Soc., 1973, 95, 24, 7939, https://doi.org/10.1021/ja00805a002 . [all data]

Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D., Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules, J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]

Keesee and Castleman, 1986
Keesee, R.G.; Castleman, A.W., Jr., Thermochemical data on Ggs-phase ion-molecule association and clustering reactions, J. Phys. Chem. Ref. Data, 1986, 15, 1011. [all data]

McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [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]

Fraser-Monteiro, Fraser-Monteiro, et al., 1982
Fraser-Monteiro, M.L.; Fraser-Monteiro, L.; Butler, J.J.; Baer, T.; Hass, J.R., Thermochemistry and dissociation dynamics of state-selected C4H8O2+ ions. 1. 1,4-Dioxane, J. Phys. Chem., 1982, 86, 739. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Bieri, Asbrink, et al., 1982
Bieri, G.; Asbrink, L.; Von Niessen, W., 30.4-nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1982, 27, 129. [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]

Kobayashi and Nagakura, 1973
Kobayashi, T.; Nagakura, S., Photoelectron spectra of tetrahydropyran, 1,3-dioxane, and 1,4-dioxane, Bull. Chem. Soc. Jpn., 1973, 46, 1558. [all data]

Gol'denfel'd, Korostyshevskii, et al., 1973
Gol'denfel'd, I.V.; Korostyshevskii, I.Z.; Mischanchuk, B.G.; Pokrovskii, V.A., Determination of ionization potentials of atoms and molecules using a field mass spectrometer equipped with an energy analyzer, Dokl. Akad. Nauk SSSR, 1973, 213, 626. [all data]

Sweigart and Turner, 1972
Sweigart, D.A.; Turner, D.W., Lone pair orbitals and their interactions studied by photoelectron spectroscopy. II. Equivalent orbitals in saturated oxygen and sulfur J. Heterocycl. Chem., J. Am. Chem. Soc., 1972, 94, 5599. [all data]

Collin and Conde, 1966
Collin, J.E.; Conde, G., L'ionisation et la dissociation des polyethers cycliques soumis a l'impact electronique, Bull. Classe Sci. Acad. Roy. Belg., 1966, 52, 978. [all data]

Pickett, Hoeflich, et al., 1951
Pickett, L.W.; Hoeflich, N.J.; Liu, T.-C., The vacuum ultraviolet absorption spectra of cyclic compounds. II. Tetrahydrofuran, tetrahydropyran, 1,4-dioxane and furan, J. Am. Chem. Soc., 1951, 73, 4865-4869. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]

Dallos, Sisak, et al., 2000
Dallos, A.; Sisak, A.; Kulcsár, Z.; Kováts, E., Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups, J. Chromatogr. A, 2000, 904, 2, 211-242, https://doi.org/10.1016/S0021-9673(00)00908-0 . [all data]

Gawdzik and Matynia, 1994
Gawdzik, B.; Matynia, T., Characterization of methacrylic ester of p,p'-dihydroxydiphenylpropane diglicydyl ether - divinylbenzene porous copolymers for GC, Chromatographia, 1994, 38, 9/10, 643-648, https://doi.org/10.1007/BF02277169 . [all data]

Kowalski, 1992
Kowalski, W.J., Free radical crosslinking of the gas chromatographic stationary phase containing europium chelates, Chromatographia, 1992, 34, 5-8, 266-268, https://doi.org/10.1007/BF02268356 . [all data]

Reddy, Dutoit, et al., 1992
Reddy, K.S.; Dutoit, J.-Cl.; Kovats, E. sz., Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups, J. Chromatogr., 1992, 609, 1-2, 229-259, https://doi.org/10.1016/0021-9673(92)80167-S . [all data]

Dutoit, 1991
Dutoit, J., Gas chromatographic retention behaviour of some solutes on structurally similar polar and non-polar stationary phases, J. Chromatogr., 1991, 555, 1-2, 191-204, https://doi.org/10.1016/S0021-9673(01)87179-X . [all data]

Maeck, Touabet, et al., 1989
Maeck, M.; Touabet, A.; Badjah Hadj Ahmed, A.Y.; Meklati, B.Y., A numerical interpolation of Kováts indices without dead time correction, Chromatographia, 1989, 27, 5/6, 205-208, https://doi.org/10.1007/BF02260447 . [all data]

Fernández-Sánchez, Fernández-Torres, et al., 1987
Fernández-Sánchez, E.; Fernández-Torres, A.; García-Domínguez, J.A.; García-Muñoz, J.; Menéndez, V.; Molera, M.J.; Santiuste, J.M.; Pertierra-Rimada, E., Mixed stationary phases in gas-liquid chromatography. Partition coefficients and retention indices in OV-101-OV-25, OV-101-Carbowax 20M and OV-225-SP-2340 mixtures, J. Chromatogr., 1987, 410, 13-29, https://doi.org/10.1016/S0021-9673(00)90031-1 . [all data]

Kersten and Poole, 1987
Kersten, B.R.; Poole, C.F., Influence of concurrent retention mechanisms on the determination of stationary phase selectivity in gas chromatography, J. Chromatogr., 1987, 399, 1-31, https://doi.org/10.1016/S0021-9673(00)96108-9 . [all data]

Tiess, 1984
Tiess, D., Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30, Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe, 1984, 33, 6-9. [all data]

Winskowski, 1983
Winskowski, J., Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren, Chromatographia, 1983, 17, 3, 160-165, https://doi.org/10.1007/BF02271041 . [all data]

Goebel, 1982
Goebel, K.-J., Gaschromatographische Identifizierung Niedrig Siedender Substanzen Mittels Retentionsindices und Rechnerhilfe, J. Chromatogr., 1982, 235, 1, 119-127, https://doi.org/10.1016/S0021-9673(00)95793-5 . [all data]

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

Riedo, Fritz, et al., 1976
Riedo, F.; Fritz, D.; Tarján, G.; Kováts, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 1976, 126, 63-83, https://doi.org/10.1016/S0021-9673(01)84063-2 . [all data]

Brown, Chapman, et al., 1968
Brown, I.; Chapman, I.L.; Nicholson, G.J., Gas chromatography of polar solutes in electron acceptor stationary phases, Aust. J. Chem., 1968, 21, 5, 1125-1141, https://doi.org/10.1071/CH9681125 . [all data]

Rohrschneider, 1966
Rohrschneider, L., Eine methode zur charakterisierung von gaschromatographischen trennflüssigkeiten, J. Chromatogr., 1966, 22, 6-22, https://doi.org/10.1016/S0021-9673(01)97064-5 . [all data]

Shimadzu, 2003
Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 2), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]

Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]

Slizhov and Gavrilenko, 2001
Slizhov, Yu.G.; Gavrilenko, M.A., Effect of thermal treatment of poly(ethylene glycol) modified with europium acetylacetonate on its chromatographic properties, Russ. J. Phys. Chem. (Engl. Transl.), 2001, 75, 6, 1012-1013. [all data]

Tello, Lebron-Aguilar, et al., 2009
Tello, A.M.; Lebron-Aguilar, R.; Quintanilla-Lopez, J.E.; Santiuste, J.M., Isothermal retention indices on poly93-cyanopropylmethyl)siloxane stationary phases, J. Chromatogr. A, 2009, 1216, 10, 1630-1639, https://doi.org/10.1016/j.chroma.2008.10.025 . [all data]

Lebrón-Aguilar, Quintanilla-López, et al., 2007
Lebrón-Aguilar, R.; Quintanilla-López, J.E.; Tello, A.M.; Santiuste, J.M., Isothermal retention indices on poly (3,3,3-trifluoropropylmethylsiloxane) stationary phases, J. Chromatogr. A, 2007, 1160, 1-2, 276-288, https://doi.org/10.1016/j.chroma.2007.05.025 . [all data]

Shimadzu, 2003, 2
Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 3), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]

Kurdina, Markovich, et al., 1969
Kurdina, Z.G.; Markovich, V.E.; Sakharov, V.M., Gas chromatography of cyclic O-containing compounds in Gas chromatography, Issue # 10, NIITEKhim, Moscow, 1969, 128-133. [all data]

Spadone, Takeoka, et al., 1990
Spadone, J.-C.; Takeoka, G.; Liardon, R., Analytical Investigation of Rio Off-Flavor in Green Coffee, J. Agric. Food Chem., 1990, 38, 1, 226-233, https://doi.org/10.1021/jf00091a050 . [all data]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]

Zenkevich, Korolenko, et al., 1995
Zenkevich, I.G.; Korolenko, L.I.; Khralenkova, N.B., Desorption with solvent vapor as a method of sample preparation in the sorption preconcentration of organic-compounds from the air of a working area and from industrial-waste gases, J. Appl. Chem. USSR (Engl. Transl.), 1995, 50, 10, 937-944. [all data]

Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

Weller and Wolf, 1989
Weller, J.-P.; Wolf, M., Massenspektroskopie und Headspace-GC, Beitr. Gerichtl. Med., 1989, 47, 525-532. [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]

Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5 . [all data]

Dowling, Evans, et al., 1990
Dowling, J.J.; Evans, M.B.; Haken, J.K., Gas-liquid chromatography in qualitative analysis. XVIII. Study of the dependence of the retention behavior of polyoxyethylene glycol columns on the nature of the support and phase loading, J. Chromatogr., 1990, 500, 355-365, https://doi.org/10.1016/S0021-9673(00)96077-1 . [all data]

Shimadzu, 2012
Shimadzu, Pharmaceutical Related, Analysis of pharmaceutical residual solvent (observation of separation) (1) - GC, 2012, retrieved from www.shimadzu.ru/applications/Applicationspdf/GC/Pharma/Pharmaceutical residual solvents GC.pdf. [all data]

Shimadzu Corporation, 2003
Shimadzu Corporation, Analysis of pharmaceutical residual solvent (observation of separation), 2003, retrieved from http://www.shimadzu.com.br/analitica/aplicacoes/book/pharm69.pdf. [all data]

Duque, Bonilla, et al., 2001
Duque, C.; Bonilla, A.; Bautista, E.; Zea, S., Exudation of low molecular wight compounds (thiobismethane, methyl isocyanide, amd methyl isothiocyanate) as a possible chemical defense mechanism in the marine sponge Ircinia felix, Biochem. Systematics Ecol., 2001, 29, 5, 459-467, https://doi.org/10.1016/S0305-1978(00)00081-8 . [all data]


Notes

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