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Ethane, nitro-

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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-144. ± 0.4kJ/molCcbLebedeva and Ryadenko, 1973ALS
Deltafliquid-143.6 ± 1.1kJ/molCcbCass, Fletcher, et al., 1958Reanalyzed by Cox and Pilcher, 1970, Original value = -135. ± 1. kJ/mol; ALS
Deltafliquid-140.1 ± 1.3kJ/molCcbHolcomb and Dorsey, 1949ALS
Quantity Value Units Method Reference Comment
Deltacliquid-1358. ± 0.4kJ/molCcbLebedeva and Ryadenko, 1973ALS
Deltacliquid-1358.0 ± 1.0kJ/molCcbCass, Fletcher, et al., 1958Reanalyzed by Cox and Pilcher, 1970, Original value = -1366. ± 1. kJ/mol; ALS
Deltacliquid-1361.6 ± 1.3kJ/molCcbHolcomb and Dorsey, 1949ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
134.22298.15Liu and Ziegler, 1966T = 80 to 300 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil387.6 ± 0.8KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus183.63KN/AToops, 1956Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Ttriple183.69KN/ALiu and Ziegler, 1966Uncertainty assigned by TRC = 0.04 K; based on analysis of melting curve; TRC
Quantity Value Units Method Reference Comment
Deltavap41.6 ± 0.42kJ/molVHolcomb and Dorsey, 1949ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
38.6339.EBStephenson and Malanowski, 1987Based on data from 324. - 388. K. See also Toops, 1956, 2 and Dykyj, 1970.; AC
41.3267.N/AStull, 1947Based on data from 252. - 387. 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
390.0 - 459.1.74671207.774-269.20Tolstova, Kogan, et al., 1965Coefficents calculated by NIST from author's data.
252. - 387.4.712671671.266-31.963Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
9.853183.69Liu and Ziegler, 1966DH
9.85183.7Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
53.64183.69Liu and Ziegler, 1966DH

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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

C2H4NO2- + Hydrogen cation = Ethane, nitro-

By formula: C2H4NO2- + H+ = C2H5NO2

Quantity Value Units Method Reference Comment
Deltar1489. ± 9.2kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1496. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar1462. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1469. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

CAS Reg. No. 34533-65-8 + 2Ethane, nitro- = C6H15N3O6-

By formula: CAS Reg. No. 34533-65-8 + 2C2H5NO2 = C6H15N3O6-

Quantity Value Units Method Reference Comment
Deltar61.09 ± 0.84kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar26.4kJ/molTDAsWincel, 2004gas phase; B

Nitrogen oxide anion + Ethane, nitro- = C2H5N2O4-

By formula: NO2- + C2H5NO2 = C2H5N2O4-

Quantity Value Units Method Reference Comment
Deltar66.1 ± 2.1kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar37.2kJ/molTDAsWincel, 2004gas phase; B

C2H5N2O4- + 2Ethane, nitro- = C4H10N3O6-

By formula: C2H5N2O4- + 2C2H5NO2 = C4H10N3O6-

Quantity Value Units Method Reference Comment
Deltar62.3 ± 2.1kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar28.5kJ/molTDAsWincel, 2004gas phase; B

C4H10N3O6- + 3Ethane, nitro- = C6H15N4O8-

By formula: C4H10N3O6- + 3C2H5NO2 = C6H15N4O8-

Quantity Value Units Method Reference Comment
Deltar49.4 ± 2.1kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar16.7kJ/molTDAsWincel, 2004gas phase; B

C6H15N4O8- + 4Ethane, nitro- = C8H20N5O10-

By formula: C6H15N4O8- + 4C2H5NO2 = C8H20N5O10-

Quantity Value Units Method Reference Comment
Deltar46.0 ± 2.1kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar11.3kJ/molTDAsWincel, 2004gas phase; B

C6H15N3O6- + 3Ethane, nitro- = C8H20N4O8-

By formula: C6H15N3O6- + 3C2H5NO2 = C8H20N4O8-

Quantity Value Units Method Reference Comment
Deltar56.9 ± 1.3kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar19.7kJ/molTDAsWincel, 2004gas phase; B

C8H20N4O8- + 4Ethane, nitro- = C10H25N5O10-

By formula: C8H20N4O8- + 4C2H5NO2 = C10H25N5O10-

Quantity Value Units Method Reference Comment
Deltar49.8 ± 2.1kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar8.79kJ/molTDAsWincel, 2004gas phase; B

C4H10N2O6- + 2Ethane, nitro- = C6H15N3O8-

By formula: C4H10N2O6- + 2C2H5NO2 = C6H15N3O8-

Quantity Value Units Method Reference Comment
Deltar53.1 ± 2.1kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar18.4kJ/molTDAsWincel, 2004gas phase; B

C6H15N3O8- + 3Ethane, nitro- = C8H20N4O10-

By formula: C6H15N3O8- + 3C2H5NO2 = C8H20N4O10-

Quantity Value Units Method Reference Comment
Deltar47.3 ± 2.1kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar10.0kJ/molTDAsWincel, 2004gas phase; B

C8H20N4O10- + 4Ethane, nitro- = C10H25N5O12-

By formula: C8H20N4O10- + 4C2H5NO2 = C10H25N5O12-

Quantity Value Units Method Reference Comment
Deltar43.9 ± 2.1kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar2.9kJ/molTDAsWincel, 2004gas phase; B

C4H8N2O4- + 2Ethane, nitro- = C6H13N3O6-

By formula: C4H8N2O4- + 2C2H5NO2 = C6H13N3O6-

Quantity Value Units Method Reference Comment
Deltar63.6 ± 3.3kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar23.8kJ/molTDAsWincel, 2004gas phase; B

C4H9N2O4- + 2Ethane, nitro- = C6H14N3O6-

By formula: C4H9N2O4- + 2C2H5NO2 = C6H14N3O6-

Quantity Value Units Method Reference Comment
Deltar64.4 ± 3.3kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar25.9kJ/molTDAsWincel, 2004gas phase; B

C2H3NO2- + Ethane, nitro- = C4H8N2O4-

By formula: C2H3NO2- + C2H5NO2 = C4H8N2O4-

Quantity Value Units Method Reference Comment
Deltar65.7 ± 3.3kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar35.6kJ/molTDAsWincel, 2004gas phase; B

C2H4NO2- + Ethane, nitro- = C4H9N2O4-

By formula: C2H4NO2- + C2H5NO2 = C4H9N2O4-

Quantity Value Units Method Reference Comment
Deltar67.8 ± 3.3kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar37.7kJ/molTDAsWincel, 2004gas phase; B

C2H6NO2+ + Ethane, nitro- = (C2H6NO2+ bullet Ethane, nitro-)

By formula: C2H6NO2+ + C2H5NO2 = (C2H6NO2+ bullet C2H5NO2)

Quantity Value Units Method Reference Comment
Deltar130.kJ/molPHPMSMeot-Ner, Hunter, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Deltar140.J/mol*KPHPMSMeot-Ner, Hunter, et al., 1979gas phase; M

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
21. XN/AValue given here as quoted by missing citation.
140. MN/AValue at T = 303. K.
21. VN/A 

Gas phase ion energetics data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)10.9 ± 0.05eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)765.7kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity733.2kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.92 ± 0.01PEDewar, Shanshal, et al., 1969RDSH
10.88 ± 0.05PIWatanabe, Nakayama, et al., 1962RDSH
11.02PEKimura, Katsumata, et al., 1981Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H5+11.0NO2EITsuda and Hamill, 1966RDSH
C2H5O+10.62 ± 0.07NOEISolka and Russell, 1974LLK

De-protonation reactions

C2H4NO2- + Hydrogen cation = Ethane, nitro-

By formula: C2H4NO2- + H+ = C2H5NO2

Quantity Value Units Method Reference Comment
Deltar1489. ± 9.2kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1496. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar1462. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1469. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

Ion clustering 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), 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

C2H3NO2- + Ethane, nitro- = C4H8N2O4-

By formula: C2H3NO2- + C2H5NO2 = C4H8N2O4-

Quantity Value Units Method Reference Comment
Deltar65.7 ± 3.3kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar35.6kJ/molTDAsWincel, 2004gas phase; B

C2H4NO2- + Ethane, nitro- = C4H9N2O4-

By formula: C2H4NO2- + C2H5NO2 = C4H9N2O4-

Quantity Value Units Method Reference Comment
Deltar67.8 ± 3.3kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar37.7kJ/molTDAsWincel, 2004gas phase; B

C2H5N2O4- + 2Ethane, nitro- = C4H10N3O6-

By formula: C2H5N2O4- + 2C2H5NO2 = C4H10N3O6-

Quantity Value Units Method Reference Comment
Deltar62.3 ± 2.1kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar28.5kJ/molTDAsWincel, 2004gas phase; B

C2H6NO2+ + Ethane, nitro- = (C2H6NO2+ bullet Ethane, nitro-)

By formula: C2H6NO2+ + C2H5NO2 = (C2H6NO2+ bullet C2H5NO2)

Quantity Value Units Method Reference Comment
Deltar130.kJ/molPHPMSMeot-Ner, Hunter, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Deltar140.J/mol*KPHPMSMeot-Ner, Hunter, et al., 1979gas phase; M

C4H8N2O4- + 2Ethane, nitro- = C6H13N3O6-

By formula: C4H8N2O4- + 2C2H5NO2 = C6H13N3O6-

Quantity Value Units Method Reference Comment
Deltar63.6 ± 3.3kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar23.8kJ/molTDAsWincel, 2004gas phase; B

C4H9N2O4- + 2Ethane, nitro- = C6H14N3O6-

By formula: C4H9N2O4- + 2C2H5NO2 = C6H14N3O6-

Quantity Value Units Method Reference Comment
Deltar64.4 ± 3.3kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar25.9kJ/molTDAsWincel, 2004gas phase; B

C4H10N2O6- + 2Ethane, nitro- = C6H15N3O8-

By formula: C4H10N2O6- + 2C2H5NO2 = C6H15N3O8-

Quantity Value Units Method Reference Comment
Deltar53.1 ± 2.1kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar18.4kJ/molTDAsWincel, 2004gas phase; B

C4H10N3O6- + 3Ethane, nitro- = C6H15N4O8-

By formula: C4H10N3O6- + 3C2H5NO2 = C6H15N4O8-

Quantity Value Units Method Reference Comment
Deltar49.4 ± 2.1kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar16.7kJ/molTDAsWincel, 2004gas phase; B

C6H15N3O6- + 3Ethane, nitro- = C8H20N4O8-

By formula: C6H15N3O6- + 3C2H5NO2 = C8H20N4O8-

Quantity Value Units Method Reference Comment
Deltar56.9 ± 1.3kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar19.7kJ/molTDAsWincel, 2004gas phase; B

C6H15N3O8- + 3Ethane, nitro- = C8H20N4O10-

By formula: C6H15N3O8- + 3C2H5NO2 = C8H20N4O10-

Quantity Value Units Method Reference Comment
Deltar47.3 ± 2.1kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar10.0kJ/molTDAsWincel, 2004gas phase; B

C6H15N4O8- + 4Ethane, nitro- = C8H20N5O10-

By formula: C6H15N4O8- + 4C2H5NO2 = C8H20N5O10-

Quantity Value Units Method Reference Comment
Deltar46.0 ± 2.1kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar11.3kJ/molTDAsWincel, 2004gas phase; B

C8H20N4O8- + 4Ethane, nitro- = C10H25N5O10-

By formula: C8H20N4O8- + 4C2H5NO2 = C10H25N5O10-

Quantity Value Units Method Reference Comment
Deltar49.8 ± 2.1kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar8.79kJ/molTDAsWincel, 2004gas phase; B

C8H20N4O10- + 4Ethane, nitro- = C10H25N5O12-

By formula: C8H20N4O10- + 4C2H5NO2 = C10H25N5O12-

Quantity Value Units Method Reference Comment
Deltar43.9 ± 2.1kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar2.9kJ/molTDAsWincel, 2004gas phase; B

Nitrogen oxide anion + Ethane, nitro- = C2H5N2O4-

By formula: NO2- + C2H5NO2 = C2H5N2O4-

Quantity Value Units Method Reference Comment
Deltar66.1 ± 2.1kJ/molTDAsWincel, 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar37.2kJ/molTDAsWincel, 2004gas phase; B

IR Spectrum

Go To: Top, 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), Gas Chromatography, NIST Free Links, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson

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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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- 669
NIST MS number 227638

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Gas Chromatography

Go To: Top, 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), 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
CapillaryHP-1100.618.58Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
CapillaryHP-1110.619.51Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
CapillaryHP-1120.620.51Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
CapillaryHP-120.616.27Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
CapillaryHP-130.615.97Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
CapillaryHP-140.615.90Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
CapillaryHP-150.616.07Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
CapillaryHP-160.616.25Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
CapillaryHP-170.616.67Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
CapillaryHP-180.617.22Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
CapillaryHP-190.617.81Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
PackedC78, Branched paraffin130.567.8Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
PackedApolane130.572.Dutoit, 1991Column length: 3.7 m
PackedSF-96100.638.Boneva and Dimov, 1979N2; Column length: 2. m
PackedSF-96110.638.Boneva and Dimov, 1979N2; Column length: 2. m
PackedSF-9690.634.Boneva and Dimov, 1979N2; Column length: 2. m
PackedApiezon L100.592.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedApiezon L150.609.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedDC-200100.623.Rohrschneider, 1966Column length: 4. m
PackedApiezon L100.598.Rohrschneider, 1966Column length: 5. m
PackedApiezon L130.590.Wehrli and Kováts, 1959Celite; Column length: 2.25 m
PackedApiezon L70.583.Wehrli and Kováts, 1959Celite; Column length: 2.25 m

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryHP-Innowax100.1194.2Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 «mu»m
CapillaryHP-Innowax110.1196.2Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 «mu»m
CapillaryHP-Innowax120.1199.2Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 «mu»m
CapillaryHP-Innowax50.1179.4Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 «mu»m
CapillaryHP-Innowax60.1181.3Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 «mu»m
CapillaryHP-Innowax70.1183.9Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 «mu»m
CapillaryHP-Innowax80.1187.3Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 «mu»m
CapillaryHP-Innowax90.1190.2Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 «mu»m
PackedCarbowax 20M100.1168.Rohrschneider, 1966Column length: 2. m

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5636.89Hobbs and Conde, 199230. m/0.25 mm/0.25 «mu»m, 5. K/min; Tstart: 40. C; Tend: 300. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone590.N/AProgram: not specified
CapillarySPB-1618.Flanagan, Streete, et al., 199760. m/0.53 mm/5. «mu»m, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryPolydimethyl siloxanes623.Zenkevich and Chupalov, 1996Program: not specified
CapillarySPB-1618.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-1655.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1161.Ramsey and Flanagan, 1982Program: not specified

References

Go To: Top, 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), 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.

Lebedeva and Ryadenko, 1973
Lebedeva, N.D.; Ryadenko, V.L.R., Enthalpies of formation of nitroalkanes, Russ. J. Phys. Chem. (Engl. Transl.), 1973, 47, 1382. [all data]

Cass, Fletcher, et al., 1958
Cass, R.C.; Fletcher, S.E.; Mortimer, C.T.; Quincey, P.G.; Springall, H.D., Heats of combustion and molecular structure. Part IV. Aliphatic nitroalkanes and nitric esters, J. Chem. Soc., 1958, 958-962. [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]

Holcomb and Dorsey, 1949
Holcomb, D.E.; Dorsey, C.L., Jr., Thermodynamic properties of nitroparaffins, Ind. Eng. Chem., 1949, 41, 2788-2792. [all data]

Liu and Ziegler, 1966
Liu, K.F.; Ziegler, W.T., Heat capacity from 80° to 300°K., melting point and heat of fusion of nitroethane, J. Chem. Eng. Data, 1966, 11, 187-189. [all data]

Toops, 1956
Toops, E.E., Physical Properties of High Purity Nitroparaffins, J. Phys. Chem., 1956, 60, 304-6. [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]

Toops, 1956, 2
Toops, Emory E., Physical Properties of Eight High-Purity Nitroparaffins, J. Phys. Chem., 1956, 60, 3, 304-306, https://doi.org/10.1021/j150537a012 . [all data]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [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]

Tolstova, Kogan, et al., 1965
Tolstova, T.S.; Kogan, V.B.; Skorokhodova, V.L., Equilibrium Liquid-Steam in Systems Nitrobensol-Nitromethane, Nitrobensol-Nitroethane, Zh. Prikl. Khim. (Leningrad), 1965, 38, 11, 2617-2618. [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]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]

Wincel, 2004
Wincel, H., Gas-phase clustering reactions of NO2-, C2H3NO2-, C2H4NO2-C2H5NO2- and C2H5NO4- with C2H5NO2, Int. J. Mass Spectrom., 2004, 232, 2, 185-194, https://doi.org/10.1016/j.ijms.2004.01.003 . [all data]

Meot-Ner, Hunter, et al., 1979
Meot-Ner, (Mautner); Hunter, E.P.; Field, F.H., Ion Thermochemistry of Low Volatility Compounds in the Gas Phase. I. Intrinsic Basicities of Alpha - Amino Acids, J. Am. Chem. Soc., 1979, 101, 3, 686, https://doi.org/10.1021/ja00497a034 . [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]

Dewar, Shanshal, et al., 1969
Dewar, M.J.S.; Shanshal, M.; Worley, S.D., Calculated and observed ionization potentials gf nitroalkanes and of nitrous and nitric acids and esters. Extension of the MINDO method to nitrogen-oxygen compounds, J. Am. Chem. Soc., 1969, 91, 3590. [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]

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]

Tsuda and Hamill, 1966
Tsuda, S.; Hamill, W.H., Ionization efficiency measurements by the retarding potential difference method, Advan. Mass Spectrom., 1966, 3, 249. [all data]

Solka and Russell, 1974
Solka, B.H.; Russell, M.E., Energetics of formation of some structural isomers of gaseous C2H5O+ C2H6N+ ions, J. Phys. Chem., 1974, 78, 1268. [all data]

Görgényi and Héberger, 2003
Görgényi, M.; Héberger, K., Minimum in the temperature dependence of the Kováts retention indices of nitroalkanes and alkanenitriles on an apolar phase, J. Chromatogr. A, 2003, 985, 1-2, 11-19, https://doi.org/10.1016/S0021-9673(02)01842-3 . [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]

Boneva and Dimov, 1979
Boneva, S.; Dimov, N., Chromatographic retention indices of C1-C4 nitroparaffins, Zh. Anal. Khim., 1979, 34, 6, 902-905. [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]

Wehrli and Kováts, 1959
Wehrli, A.; Kováts, E., Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer Verbindungen, Helv. Chim. Acta, 1959, 7, 7, 2709-2736, https://doi.org/10.1002/hlca.19590420745 . [all data]

Hobbs and Conde, 1992
Hobbs, J.R.; Conde, E.P., Gas chromatographic retention indices of explosives and nitro-compounds in Advances in Analysis and Detection of Explosives: Proceedings of the 4th International Symposium on Analysis of Detection of Explosives, September 7-10, 1992, Jerusalem Israel, J. Yinon, ed(s)., Kluwer Academic Publishers, Netherlands, 1992, 153-164. [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 and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [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]

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]


Notes

Go To: Top, 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), Gas Chromatography, NIST Free Links, References