Ethane, nitro-

• Formula: C₂H₅NO₂
• Molecular weight: 75.0666
• IUPAC Standard InChI: InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3 Copy

  
• IUPAC Standard InChIKey: MCSAJNNLRCFZED-UHFFFAOYSA-N Copy
• CAS Registry Number: 79-24-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Nitroethane; C2H5NO2; Nitroetan; UN 2842; NE; Nitroparaffin
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • 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
  • References
  • Notes
• Options:
  • Switch to SI units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Condensed phase thermochemistry data

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

Constant pressure heat capacity of liquid

Phase change data

Go To: Top, Condensed phase thermochemistry 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, 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
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

Enthalpy of vaporization

Antoine Equation Parameters

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Enthalpy of fusion

Entropy of fusion

Reaction thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change 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, 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. 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^- +  =

By formula: C₂H₄NO₂^- + H⁺ = C₂H₅NO₂

CAS Reg. No. 34533-65-8 + 2 = C₆H₁₅N₃O₆^-

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

 +  = C₂H₅N₂O₄^-

By formula: NO₂^- + C₂H₅NO₂ = C₂H₅N₂O₄^-

C₂H₅N₂O₄^- + 2 = C₄H₁₀N₃O₆^-

By formula: C₂H₅N₂O₄^- + 2C₂H₅NO₂ = C₄H₁₀N₃O₆^-

C₄H₁₀N₃O₆^- + 3 = C₆H₁₅N₄O₈^-

By formula: C₄H₁₀N₃O₆^- + 3C₂H₅NO₂ = C₆H₁₅N₄O₈^-

C₆H₁₅N₄O₈^- + 4 = C₈H₂₀N₅O₁₀^-

By formula: C₆H₁₅N₄O₈^- + 4C₂H₅NO₂ = C₈H₂₀N₅O₁₀^-

C₆H₁₅N₃O₆^- + 3 = C₈H₂₀N₄O₈^-

By formula: C₆H₁₅N₃O₆^- + 3C₂H₅NO₂ = C₈H₂₀N₄O₈^-

C₈H₂₀N₄O₈^- + 4 = C₁₀H₂₅N₅O₁₀^-

By formula: C₈H₂₀N₄O₈^- + 4C₂H₅NO₂ = C₁₀H₂₅N₅O₁₀^-

C₄H₁₀N₂O₆^- + 2 = C₆H₁₅N₃O₈^-

By formula: C₄H₁₀N₂O₆^- + 2C₂H₅NO₂ = C₆H₁₅N₃O₈^-

C₆H₁₅N₃O₈^- + 3 = C₈H₂₀N₄O₁₀^-

By formula: C₆H₁₅N₃O₈^- + 3C₂H₅NO₂ = C₈H₂₀N₄O₁₀^-

C₈H₂₀N₄O₁₀^- + 4 = C₁₀H₂₅N₅O₁₂^-

By formula: C₈H₂₀N₄O₁₀^- + 4C₂H₅NO₂ = C₁₀H₂₅N₅O₁₂^-

C₄H₈N₂O₄^- + 2 = C₆H₁₃N₃O₆^-

By formula: C₄H₈N₂O₄^- + 2C₂H₅NO₂ = C₆H₁₃N₃O₆^-

C₄H₉N₂O₄^- + 2 = C₆H₁₄N₃O₆^-

By formula: C₄H₉N₂O₄^- + 2C₂H₅NO₂ = C₆H₁₄N₃O₆^-

C₂H₃NO₂^- +  = C₄H₈N₂O₄^-

By formula: C₂H₃NO₂^- + C₂H₅NO₂ = C₄H₈N₂O₄^-

C₂H₄NO₂^- +  = C₄H₉N₂O₄^-

By formula: C₂H₄NO₂^- + C₂H₅NO₂ = C₄H₉N₂O₄^-

C₂H₆NO₂⁺ +  = (C₂H₆NO₂⁺ • )

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

Henry's Law data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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 compiled by: Rolf Sander

Henry's Law constant (water solution)

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

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

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

C₂H₄NO₂^- +  =

By formula: C₂H₄NO₂^- + H⁺ = C₂H₅NO₂

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^- +  = C₄H₈N₂O₄^-

By formula: C₂H₃NO₂^- + C₂H₅NO₂ = C₄H₈N₂O₄^-

C₂H₄NO₂^- +  = C₄H₉N₂O₄^-

By formula: C₂H₄NO₂^- + C₂H₅NO₂ = C₄H₉N₂O₄^-

C₂H₅N₂O₄^- + 2 = C₄H₁₀N₃O₆^-

By formula: C₂H₅N₂O₄^- + 2C₂H₅NO₂ = C₄H₁₀N₃O₆^-

C₂H₆NO₂⁺ +  = (C₂H₆NO₂⁺ • )

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

C₄H₈N₂O₄^- + 2 = C₆H₁₃N₃O₆^-

By formula: C₄H₈N₂O₄^- + 2C₂H₅NO₂ = C₆H₁₃N₃O₆^-

C₄H₉N₂O₄^- + 2 = C₆H₁₄N₃O₆^-

By formula: C₄H₉N₂O₄^- + 2C₂H₅NO₂ = C₆H₁₄N₃O₆^-

C₄H₁₀N₂O₆^- + 2 = C₆H₁₅N₃O₈^-

By formula: C₄H₁₀N₂O₆^- + 2C₂H₅NO₂ = C₆H₁₅N₃O₈^-

C₄H₁₀N₃O₆^- + 3 = C₆H₁₅N₄O₈^-

By formula: C₄H₁₀N₃O₆^- + 3C₂H₅NO₂ = C₆H₁₅N₄O₈^-

C₆H₁₅N₃O₆^- + 3 = C₈H₂₀N₄O₈^-

By formula: C₆H₁₅N₃O₆^- + 3C₂H₅NO₂ = C₈H₂₀N₄O₈^-

C₆H₁₅N₃O₈^- + 3 = C₈H₂₀N₄O₁₀^-

By formula: C₆H₁₅N₃O₈^- + 3C₂H₅NO₂ = C₈H₂₀N₄O₁₀^-

C₆H₁₅N₄O₈^- + 4 = C₈H₂₀N₅O₁₀^-

By formula: C₆H₁₅N₄O₈^- + 4C₂H₅NO₂ = C₈H₂₀N₅O₁₀^-

C₈H₂₀N₄O₈^- + 4 = C₁₀H₂₅N₅O₁₀^-

By formula: C₈H₂₀N₄O₈^- + 4C₂H₅NO₂ = C₁₀H₂₅N₅O₁₀^-

C₈H₂₀N₄O₁₀^- + 4 = C₁₀H₂₅N₅O₁₂^-

By formula: C₈H₂₀N₄O₁₀^- + 4C₂H₅NO₂ = C₁₀H₂₅N₅O₁₂^-

 +  = C₂H₅N₂O₄^-

By formula: NO₂^- + C₂H₅NO₂ = C₂H₅N₂O₄^-

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.

• SOLUTION (10% IN CCl4 FOR 3800-1300, 10.1% IN CS2 FOR 1300-650, AND 10.1% IN CCl4 FOR 650-250 CM^-1) VERSUS SOLVENT; Not specified, most likely a grating or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

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

• liquid; Bruker Tensor 27 FTIR; 0.4821395 cm^-1 resolution

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

• gas

Mass spectrum (electron ionization)

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, 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Additional Data

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.

Kovats' RI, polar column, isothermal

View large format table.

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

View large format table.

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

View large format table.

Normal alkane RI, polar column, custom temperature program

View large format table.

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/technical_series₁997-01-01₁.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

• Symbols used in this document:
  

  AE	Appearance energy
  Cp,liquid	Constant pressure heat capacity of liquid
  IE (evaluated)	Recommended ionization energy
  Tboil	Boiling point
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.