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Methane, nitro-

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Gas phase thermochemistry data

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-81. ± 1.kJ/molCcbKnobel, Miroshnichenko, et al., 1971 

Condensed phase thermochemistry data

Go To: Top, Gas 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, 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

Quantity Value Units Method Reference Comment
Deltafliquid-113. ± 0.4kJ/molCcbLebedeva and Ryadenko, 1973ALS
Deltafliquid-113.1 ± 0.63kJ/molCcbCass, Fletcher, et al., 1958Reanalyzed by Cox and Pilcher, 1970, Original value = -93. ± 1. kJ/mol; ALS
Deltafliquid-89.04 ± 0.75kJ/molCcbHolcomb and Dorsey, 1949ALS
Quantity Value Units Method Reference Comment
Deltacliquid-709.6 ± 0.4kJ/molCcbLebedeva and Ryadenko, 1973ALS
Deltacliquid-703. ± 1.kJ/molCcbKnobel, Miroshnichenko, et al., 1971ALS
Deltacliquid-709.15 ± 0.59kJ/molCcbCass, Fletcher, et al., 1958Reanalyzed by Cox and Pilcher, 1970, Original value = -730. ± 1. kJ/mol; ALS
Deltacliquid-733.25 ± 0.75kJ/molCcbHolcomb and Dorsey, 1949ALS
Deltacliquid-709.2kJ/molCcbSwientoslawski, 1910ALS
Quantity Value Units Method Reference Comment
liquid171.75J/mol*KN/AJones and Giauque, 1947DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
106.22308.Berman and West, 1969T = 308 to 473 K.; DH
108.8313.Hough, Mason, et al., 1950T = 313 to 363 K.; DH
105.98298.15Jones and Giauque, 1947T = 15 to 300 K.; DH
100.298.Williams, 1925T = 288 to 343 K. Equation only.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, 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), UV/Visible spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
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
Tboil374.1 ± 0.8KAVGN/AAverage of 17 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus244.6KN/AToops, 1956Uncertainty assigned by TRC = 0.05 K; TRC
Tfus244.55KN/ATimmermans, 1952Uncertainty assigned by TRC = 0.4 K; TRC
Tfus243.11KN/ADreisbach and Martin, 1949Uncertainty assigned by TRC = 0.05 K; TRC
Tfus244.KN/AJoukovsky, 1934Uncertainty assigned by TRC = 2. K; TRC
Tfus243.95KN/ATimmermans, 1921Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Ttriple244.77KN/AJones and Giauque, 1947, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc588.KN/AMajer and Svoboda, 1985 
Tc588.KN/AGriffin, 1949Uncertainty assigned by TRC = 3. K; taken from a plot of total P vs 1/T; TRC
Quantity Value Units Method Reference Comment
Pc58.70barN/AAmbrose, Counsell, et al., 1978Uncertainty assigned by TRC = 0.5865 bar; TRC
Pc63.10barN/AGriffin, 1949Uncertainty assigned by TRC = 1.0342 bar; from value pf vapor pressure at Tc, based on unpublished measurements; TRC
Quantity Value Units Method Reference Comment
rhoc5.77mol/lN/AGriffin, 1949Uncertainty assigned by TRC = 0.05 mol/l; deduced from a series of P vs 1/T plots for various sample sizes in a fixed volume bomb; TRC
Quantity Value Units Method Reference Comment
Deltavap38. ± 3.kJ/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
33.99374.4N/AMajer and Svoboda, 1985 
38.271298.15N/AJones and Giauque, 1947P = 4.89 kPA; DH
35.2420.AStephenson and Malanowski, 1987Based on data from 405. - 476. K. See also Berman and West, 1967.; AC
36.8343.AStephenson and Malanowski, 1987Based on data from 328. - 410. K. See also McCullough, Scott, et al., 1954.; AC
37.2 ± 0.1318.CMcCullough, Scott, et al., 1954AC
36.3 ± 0.1335.CMcCullough, Scott, et al., 1954AC
35.2 ± 0.1353.CMcCullough, Scott, et al., 1954AC
34.0 ± 0.1374.CMcCullough, Scott, et al., 1954AC

Enthalpy of vaporization

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

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Temperature (K) A (kJ/mol) beta Tc (K) Reference Comment
318. - 374.53.330.2732588.Majer and Svoboda, 1985 

Entropy of vaporization

DeltavapS (J/mol*K) Temperature (K) Reference Comment
128.36298.15Jones and Giauque, 1947P; DH

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
405.0 - 476.4.11351229.574-76.221Berman and West, 1967Coefficents calculated by NIST from author's data.
328.86 - 409.64.405421446.196-45.633McCullough, Scott, et al., 1954Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
9.703244.77Jones and Giauque, 1947DH
9.7244.8Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
39.64244.77Jones and Giauque, 1947DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled 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

CH2NO2- + Hydrogen cation = Methane, nitro-

By formula: CH2NO2- + H+ = CH3NO2

Quantity Value Units Method Reference Comment
Deltar1498. ± 21.kJ/molD-EAMetz, Cyr, et al., 1991gas phase; B
Deltar1491. ± 9.2kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1495. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar1463. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1467. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B
Deltar1467. ± 8.4kJ/molIMREMacKay and Bohme, 1978gas phase; EA: < NO2; B

Chlorine anion + Methane, nitro- = (Chlorine anion bullet Methane, nitro-)

By formula: Cl- + CH3NO2 = (Cl- bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar65.3 ± 2.5kJ/molTDAsWincel, 2003gas phase; B
Deltar69.87 ± 0.42kJ/molTDAsSieck, 1985gas phase; B,M
Deltar68. ± 13.kJ/molIMRBRiveros, Breda, et al., 1973gas phase; Anchored: Larson and McMahon, 1984; B
Quantity Value Units Method Reference Comment
Deltar71.5J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar38.5kJ/molTDAsWincel, 2003gas phase; B
Deltar48.53 ± 0.42kJ/molTDAsSieck, 1985gas phase; B

(Chlorine anion bullet Methane, nitro-) + Methane, nitro- = (Chlorine anion bullet 2Methane, nitro-)

By formula: (Cl- bullet CH3NO2) + CH3NO2 = (Cl- bullet 2CH3NO2)

Quantity Value Units Method Reference Comment
Deltar54.4 ± 2.1kJ/molTDAsWincel, 2003gas phase; B
Deltar54.81 ± 0.42kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar76.6J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar23.8kJ/molTDAsWincel, 2003gas phase; B
Deltar31.8 ± 1.3kJ/molTDAsSieck, 1985gas phase; B

Nitrogen oxide anion + Methane, nitro- = (Nitrogen oxide anion bullet Methane, nitro-)

By formula: NO2- + CH3NO2 = (NO2- bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar60.7 ± 2.1kJ/molTDAsWincel, 2003gas phase; B
Deltar59.83 ± 0.42kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar64.9J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar32.6kJ/molTDAsWincel, 2003gas phase; B
Deltar40.6 ± 0.84kJ/molTDAsSieck, 1985gas phase; B

C6H7N+ + Methane, nitro- = (C6H7N+ bullet Methane, nitro-)

By formula: C6H7N+ + CH3NO2 = (C6H7N+ bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar60.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar75.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
34.343.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

(CH3NO2- bullet Methane, nitro-) + Methane, nitro- = (CH3NO2- bullet 2Methane, nitro-)

By formula: (CH3NO2- bullet CH3NO2) + CH3NO2 = (CH3NO2- bullet 2CH3NO2)

Quantity Value Units Method Reference Comment
Deltar50. ± 150.kJ/molN/ACompton, Carman Jr., et al., 1996gas phase; shift in electron detachment from less solvated ion; B
Deltar53.6 ± 1.3kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar24.7kJ/molTDAsWincel, 2003gas phase; B

CH6N+ + Methane, nitro- = (CH6N+ bullet Methane, nitro-)

By formula: CH6N+ + CH3NO2 = (CH6N+ bullet CH3NO2)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Deltar85.8kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar96.2J/mol*KPHPMSMeot-Ner, 1984gas phase; M

CH2NO2- + Methane, nitro- = C2H5N2O4-

By formula: CH2NO2- + CH3NO2 = C2H5N2O4-

Quantity Value Units Method Reference Comment
Deltar66.5 ± 2.1kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar35.1kJ/molTDAsWincel, 2003gas phase; B

C3H9N3O6- + 3Methane, nitro- = C4H12N4O8-

By formula: C3H9N3O6- + 3CH3NO2 = C4H12N4O8-

Quantity Value Units Method Reference Comment
Deltar43.5 ± 2.1kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar15.9kJ/molTDAsWincel, 2003gas phase; B

C2H5N2O4- + 2Methane, nitro- = C3H8N3O6-

By formula: C2H5N2O4- + 2CH3NO2 = C3H8N3O6-

Quantity Value Units Method Reference Comment
Deltar55.6 ± 2.9kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar24.3kJ/molTDAsWincel, 2003gas phase; B

C3H8N3O6- + 3Methane, nitro- = C4H11N4O8-

By formula: C3H8N3O6- + 3CH3NO2 = C4H11N4O8-

Quantity Value Units Method Reference Comment
Deltar52.7 ± 2.1kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar13.0kJ/molTDAsWincel, 2003gas phase; B

C4H11N4O8- + 4Methane, nitro- = C5H14N5O10-

By formula: C4H11N4O8- + 4CH3NO2 = C5H14N5O10-

Quantity Value Units Method Reference Comment
Deltar47.70 ± 0.84kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar6.69kJ/molTDAsWincel, 2003gas phase; B

C2H6N2O6- + 2Methane, nitro- = C3H9N3O8-

By formula: C2H6N2O6- + 2CH3NO2 = C3H9N3O8-

Quantity Value Units Method Reference Comment
Deltar45.6 ± 2.5kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar15.5kJ/molTDAsWincel, 2003gas phase; B

C4H12N4O8- + 4Methane, nitro- = C5H15N5O10-

By formula: C4H12N4O8- + 4CH3NO2 = C5H15N5O10-

Quantity Value Units Method Reference Comment
Deltar35.1 ± 0.84kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar10.0kJ/molTDAsWincel, 2003gas phase; B

C3H9N3O8- + 3Methane, nitro- = C4H12N4O10-

By formula: C3H9N3O8- + 3CH3NO2 = C4H12N4O10-

Quantity Value Units Method Reference Comment
Deltar39.7 ± 3.8kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar9.62kJ/molTDAsWincel, 2003gas phase; B

CH3N2O4- + 2Methane, nitro- = C2H6N3O6-

By formula: CH3N2O4- + 2CH3NO2 = C2H6N3O6-

Quantity Value Units Method Reference Comment
Deltar51.9 ± 2.1kJ/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar22.6kJ/molTDAsWincel, 2003gas phase; B

C2H6ClN2O4- + 3Methane, nitro- = C3H9ClN3O6-

By formula: C2H6ClN2O4- + 3CH3NO2 = C3H9ClN3O6-

Quantity Value Units Method Reference Comment
Deltar46.4 ± 2.1kJ/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar15.5kJ/molTDAsWincel, 2003gas phase; B

C11H10+ + Methane, nitro- = (C11H10+ bullet Methane, nitro-)

By formula: C11H10+ + CH3NO2 = (C11H10+ bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar46.9kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar93.3J/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M

C2H6N3O6- + 3Methane, nitro- = C3H9N4O8-

By formula: C2H6N3O6- + 3CH3NO2 = C3H9N4O8-

Quantity Value Units Method Reference Comment
Deltar47.3 ± 3.3kJ/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar13.8kJ/molTDAsWincel, 2003gas phase; B

C3H9N4O8- + 4Methane, nitro- = C4H12N5O10-

By formula: C3H9N4O8- + 4CH3NO2 = C4H12N5O10-

Quantity Value Units Method Reference Comment
Deltar40.6 ± 1.3kJ/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar6.69kJ/molTDAsWincel, 2003gas phase; B

C5H10NO2+ + Methane, nitro- = (C5H10NO2+ bullet Methane, nitro-)

By formula: C5H10NO2+ + CH3NO2 = (C5H10NO2+ bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar73.2kJ/molHPMSMeot-Ner and Field, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar90.4J/mol*KHPMSMeot-Ner and Field, 1974gas phase; M

C5H12NO2+ + Methane, nitro- = (C5H12NO2+ bullet Methane, nitro-)

By formula: C5H12NO2+ + CH3NO2 = (C5H12NO2+ bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar82.8kJ/molHPMSMeot-Ner and Field, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar116.J/mol*KHPMSMeot-Ner and Field, 1974gas phase; M

C3H9ClN3O6- + 4Methane, nitro- = C4H12ClN4O8-

By formula: C3H9ClN3O6- + 4CH3NO2 = C4H12ClN4O8-

Quantity Value Units Method Reference Comment
Deltar40. ± 4.2kJ/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar11.3kJ/molTDAsWincel, 2003gas phase; B

C4H12N4O10- + 4Methane, nitro- = C5H15N5O12-

By formula: C4H12N4O10- + 4CH3NO2 = C5H15N5O12-

Quantity Value Units Method Reference Comment
Deltar25.1kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar2.5kJ/molTDAsWincel, 2003gas phase; B

Lithium ion (1+) + Methane, nitro- = (Lithium ion (1+) bullet Methane, nitro-)

By formula: Li+ + CH3NO2 = (Li+ bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar165.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970; M

CH3NO2- + Methane, nitro- = (CH3NO2- bullet Methane, nitro-)

By formula: CH3NO2- + CH3NO2 = (CH3NO2- bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar63.60 ± 0.84kJ/molN/ACompton, Carman Jr., et al., 1996gas phase; Shift in electron detachment from non-solvated ion; B

Bromine anion + Methane, nitro- = CH3BrNO2-

By formula: Br- + CH3NO2 = CH3BrNO2-

Quantity Value Units Method Reference Comment
Deltar40. ± 8.4kJ/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B

Iodide + Methane, nitro- = (Iodide bullet Methane, nitro-)

By formula: I- + CH3NO2 = (I- bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar51.0 ± 4.2kJ/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: 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
3.6 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
35. XN/AValue given here as quoted by missing citation.
45. MN/A 

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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
LL - Sharon G. Lias and Joel F. Liebman
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

Quantity Value Units Method Reference Comment
IE (evaluated)11.08 ± 0.04eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)754.6kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity721.6kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.1720 ± 0.0060LPESAdams, Schneider, et al., 2009B
0.260 ± 0.080LPESCompton, Carman Jr., et al., 1996dipole-bound state: 12±3 meV.; B
0.01201N/ALecomte, Carles, et al., 2000Dipole-bound state; B
0.500 ± 0.020ECDChen, Welk, et al., 1999Reanalysis of Chen and Wentworth, 1983; B
0.49 ± 0.11IMREGrimsrud, Caldwell, et al., 1985«DELTA»Gea(423 K) = -12.1 kcal/mol; «DELTA»Sea (estimated) = +2.0 eu.; B
0.451 ± 0.052ECDChen and Wentworth, 1983B
0.44 ± 0.20NBIECompton, Reinhardt, et al., 1978B
0.960 ± 0.010LPESGoebbert, Pichugin, et al., 2009Stated electron affinity is the Vertical Detachment Energy; B

Ionization energy determinations

IE (eV) Method Reference Comment
11.07PEPasa-Tolic, Klasine, et al., 1990LL
11.1 ± 0.05PILifshitz, Rejwan, et al., 1988LL
10.7PEOgden, Shaw, et al., 1983LBLHLM
11.12PEGilman, Hsieh, et al., 1983LBLHLM
11.05PEKatsumata, Shiromaru, et al., 1982LBLHLM
11.28 ± 0.08EIAllam, Migahed, et al., 1982LBLHLM
11.28PEKimura, Katsumata, et al., 1981LLK
11.1PEAsbrink, Svensson, et al., 1981LLK
11.28 ± 0.08EIAllam, Migahed, et al., 1981LLK
11.07 ± 0.01PERabalais, 1972LLK
11.040 ± 0.017PINicholson, 1970RDSH
11.23 ± 0.01PEDewar, Shanshal, et al., 1969RDSH
11.130 ± 0.006PINicholson, 1965RDSH
11.08 ± 0.03PIWatanabe, Nakayama, et al., 1962RDSH
11.29PEBajic, Humski, et al., 1985Vertical value; LBLHLM
11.47PEKatsumata, Shiromaru, et al., 1982Vertical value; LBLHLM
11.31PEKobayashi, 1978Vertical value; LLK
11.8PERao, 1975Vertical value; LLK
11.29PEKobayashi and Nagakura, 1974Vertical value; LLK
11.31 ± 0.015PEKobayashi and Nagakura, 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+22.83 ± 0.05?EIKandel, 1955RDSH
CH2NO2+11.8 ± 0.1HPILifshitz, Rejwan, et al., 1988LL
CH2NO2+11.97 ± 0.02HEIKandel, 1955RDSH
CH3+13.6NO2EIHaney and Franklin, 1968RDSH
CH3+12.6NO2EITsuda and Hamill, 1966RDSH
CH3NO+11.75 ± 0.05OPILifshitz, Rejwan, et al., 1988LL
CH3NO+11.95OPIPECOGilman, Hsieh, et al., 1983LBLHLM
NO+11.75 ± 0.05CH3OPILifshitz, Rejwan, et al., 1988LL
NO+11.5CH3OPEOgden, Shaw, et al., 1983LBLHLM
NO+11.76CH3OPIPECOGilman, Hsieh, et al., 1983LBLHLM
NO+11.7CH3OPIPECONiwa, Tajima, et al., 1981LLK
NO+11.75 ± 0.01?PINicholson, 1970RDSH
NO2+12.1 ± 0.1CH3PILifshitz, Rejwan, et al., 1988LL
NO2+11.97CH3PEOgden, Shaw, et al., 1983LBLHLM
NO2+12.1CH3PIPECONiwa, Tajima, et al., 1981LLK
NO2+13. ± 0.CH3EICollin, 1959RDSH
O+14.50 ± 0.16?EIKandel, 1955RDSH

De-protonation reactions

CH2NO2- + Hydrogen cation = Methane, nitro-

By formula: CH2NO2- + H+ = CH3NO2

Quantity Value Units Method Reference Comment
Deltar1498. ± 21.kJ/molD-EAMetz, Cyr, et al., 1991gas phase; B
Deltar1491. ± 9.2kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1495. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar1463. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1467. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B
Deltar1467. ± 8.4kJ/molIMREMacKay and Bohme, 1978gas phase; EA: < NO2; B

Ion clustering data

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled 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

Bromine anion + Methane, nitro- = CH3BrNO2-

By formula: Br- + CH3NO2 = CH3BrNO2-

Quantity Value Units Method Reference Comment
Deltar40. ± 8.4kJ/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B

CH2NO2- + Methane, nitro- = C2H5N2O4-

By formula: CH2NO2- + CH3NO2 = C2H5N2O4-

Quantity Value Units Method Reference Comment
Deltar66.5 ± 2.1kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar35.1kJ/molTDAsWincel, 2003gas phase; B

CH3NO2- + Methane, nitro- = (CH3NO2- bullet Methane, nitro-)

By formula: CH3NO2- + CH3NO2 = (CH3NO2- bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar63.60 ± 0.84kJ/molN/ACompton, Carman Jr., et al., 1996gas phase; Shift in electron detachment from non-solvated ion; B

(CH3NO2- bullet Methane, nitro-) + Methane, nitro- = (CH3NO2- bullet 2Methane, nitro-)

By formula: (CH3NO2- bullet CH3NO2) + CH3NO2 = (CH3NO2- bullet 2CH3NO2)

Quantity Value Units Method Reference Comment
Deltar50. ± 150.kJ/molN/ACompton, Carman Jr., et al., 1996gas phase; shift in electron detachment from less solvated ion; B
Deltar53.6 ± 1.3kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar24.7kJ/molTDAsWincel, 2003gas phase; B

CH3N2O4- + 2Methane, nitro- = C2H6N3O6-

By formula: CH3N2O4- + 2CH3NO2 = C2H6N3O6-

Quantity Value Units Method Reference Comment
Deltar51.9 ± 2.1kJ/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar22.6kJ/molTDAsWincel, 2003gas phase; B

CH6N+ + Methane, nitro- = (CH6N+ bullet Methane, nitro-)

By formula: CH6N+ + CH3NO2 = (CH6N+ bullet CH3NO2)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Deltar85.8kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar96.2J/mol*KPHPMSMeot-Ner, 1984gas phase; M

C2H5N2O4- + 2Methane, nitro- = C3H8N3O6-

By formula: C2H5N2O4- + 2CH3NO2 = C3H8N3O6-

Quantity Value Units Method Reference Comment
Deltar55.6 ± 2.9kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar24.3kJ/molTDAsWincel, 2003gas phase; B

C2H6ClN2O4- + 3Methane, nitro- = C3H9ClN3O6-

By formula: C2H6ClN2O4- + 3CH3NO2 = C3H9ClN3O6-

Quantity Value Units Method Reference Comment
Deltar46.4 ± 2.1kJ/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar15.5kJ/molTDAsWincel, 2003gas phase; B

C2H6N2O6- + 2Methane, nitro- = C3H9N3O8-

By formula: C2H6N2O6- + 2CH3NO2 = C3H9N3O8-

Quantity Value Units Method Reference Comment
Deltar45.6 ± 2.5kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar15.5kJ/molTDAsWincel, 2003gas phase; B

C2H6N3O6- + 3Methane, nitro- = C3H9N4O8-

By formula: C2H6N3O6- + 3CH3NO2 = C3H9N4O8-

Quantity Value Units Method Reference Comment
Deltar47.3 ± 3.3kJ/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar13.8kJ/molTDAsWincel, 2003gas phase; B

C3H8N3O6- + 3Methane, nitro- = C4H11N4O8-

By formula: C3H8N3O6- + 3CH3NO2 = C4H11N4O8-

Quantity Value Units Method Reference Comment
Deltar52.7 ± 2.1kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar13.0kJ/molTDAsWincel, 2003gas phase; B

C3H9ClN3O6- + 4Methane, nitro- = C4H12ClN4O8-

By formula: C3H9ClN3O6- + 4CH3NO2 = C4H12ClN4O8-

Quantity Value Units Method Reference Comment
Deltar40. ± 4.2kJ/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar11.3kJ/molTDAsWincel, 2003gas phase; B

C3H9N3O6- + 3Methane, nitro- = C4H12N4O8-

By formula: C3H9N3O6- + 3CH3NO2 = C4H12N4O8-

Quantity Value Units Method Reference Comment
Deltar43.5 ± 2.1kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar15.9kJ/molTDAsWincel, 2003gas phase; B

C3H9N3O8- + 3Methane, nitro- = C4H12N4O10-

By formula: C3H9N3O8- + 3CH3NO2 = C4H12N4O10-

Quantity Value Units Method Reference Comment
Deltar39.7 ± 3.8kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar9.62kJ/molTDAsWincel, 2003gas phase; B

C3H9N4O8- + 4Methane, nitro- = C4H12N5O10-

By formula: C3H9N4O8- + 4CH3NO2 = C4H12N5O10-

Quantity Value Units Method Reference Comment
Deltar40.6 ± 1.3kJ/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar6.69kJ/molTDAsWincel, 2003gas phase; B

C4H11N4O8- + 4Methane, nitro- = C5H14N5O10-

By formula: C4H11N4O8- + 4CH3NO2 = C5H14N5O10-

Quantity Value Units Method Reference Comment
Deltar47.70 ± 0.84kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar6.69kJ/molTDAsWincel, 2003gas phase; B

C4H12N4O8- + 4Methane, nitro- = C5H15N5O10-

By formula: C4H12N4O8- + 4CH3NO2 = C5H15N5O10-

Quantity Value Units Method Reference Comment
Deltar35.1 ± 0.84kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar10.0kJ/molTDAsWincel, 2003gas phase; B

C4H12N4O10- + 4Methane, nitro- = C5H15N5O12-

By formula: C4H12N4O10- + 4CH3NO2 = C5H15N5O12-

Quantity Value Units Method Reference Comment
Deltar25.1kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Deltar2.5kJ/molTDAsWincel, 2003gas phase; B

C5H10NO2+ + Methane, nitro- = (C5H10NO2+ bullet Methane, nitro-)

By formula: C5H10NO2+ + CH3NO2 = (C5H10NO2+ bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar73.2kJ/molHPMSMeot-Ner and Field, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar90.4J/mol*KHPMSMeot-Ner and Field, 1974gas phase; M

C5H12NO2+ + Methane, nitro- = (C5H12NO2+ bullet Methane, nitro-)

By formula: C5H12NO2+ + CH3NO2 = (C5H12NO2+ bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar82.8kJ/molHPMSMeot-Ner and Field, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar116.J/mol*KHPMSMeot-Ner and Field, 1974gas phase; M

C6H7N+ + Methane, nitro- = (C6H7N+ bullet Methane, nitro-)

By formula: C6H7N+ + CH3NO2 = (C6H7N+ bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar60.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar75.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
34.343.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

C11H10+ + Methane, nitro- = (C11H10+ bullet Methane, nitro-)

By formula: C11H10+ + CH3NO2 = (C11H10+ bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar46.9kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar93.3J/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M

Chlorine anion + Methane, nitro- = (Chlorine anion bullet Methane, nitro-)

By formula: Cl- + CH3NO2 = (Cl- bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar65.3 ± 2.5kJ/molTDAsWincel, 2003gas phase; B
Deltar69.87 ± 0.42kJ/molTDAsSieck, 1985gas phase; B,M
Deltar68. ± 13.kJ/molIMRBRiveros, Breda, et al., 1973gas phase; Anchored: Larson and McMahon, 1984; B
Quantity Value Units Method Reference Comment
Deltar71.5J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar38.5kJ/molTDAsWincel, 2003gas phase; B
Deltar48.53 ± 0.42kJ/molTDAsSieck, 1985gas phase; B

(Chlorine anion bullet Methane, nitro-) + Methane, nitro- = (Chlorine anion bullet 2Methane, nitro-)

By formula: (Cl- bullet CH3NO2) + CH3NO2 = (Cl- bullet 2CH3NO2)

Quantity Value Units Method Reference Comment
Deltar54.4 ± 2.1kJ/molTDAsWincel, 2003gas phase; B
Deltar54.81 ± 0.42kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar76.6J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar23.8kJ/molTDAsWincel, 2003gas phase; B
Deltar31.8 ± 1.3kJ/molTDAsSieck, 1985gas phase; B

Iodide + Methane, nitro- = (Iodide bullet Methane, nitro-)

By formula: I- + CH3NO2 = (I- bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar51.0 ± 4.2kJ/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M

Lithium ion (1+) + Methane, nitro- = (Lithium ion (1+) bullet Methane, nitro-)

By formula: Li+ + CH3NO2 = (Li+ bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar165.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970; M

Nitrogen oxide anion + Methane, nitro- = (Nitrogen oxide anion bullet Methane, nitro-)

By formula: NO2- + CH3NO2 = (NO2- bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar60.7 ± 2.1kJ/molTDAsWincel, 2003gas phase; B
Deltar59.83 ± 0.42kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar64.9J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar32.6kJ/molTDAsWincel, 2003gas phase; B
Deltar40.6 ± 0.84kJ/molTDAsSieck, 1985gas phase; B

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, 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, 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 CARL DJERASSI DEPT OF CHEM STANFORD UNIV STANFORD CALIF 94305
NIST MS number 49304

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), 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 Grammaticakis, 1950
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. 2
Instrument n.i.g.
Melting point -28.5
Boiling point 101.1

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, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Knobel, Miroshnichenko, et al., 1971
Knobel, Y.K.; Miroshnichenko, E.A.; Lebedev, Y.A., Heats of combustion of nitromethane and dinitromethane: enthalpies of formation of nitromethyl radicals and energies of dissociation of bonds in nitro derivatives of methane, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1971, 425-428. [all data]

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]

Swientoslawski, 1910
Swientoslawski, W., Thermochemische Untersuchungen der organischen Verbindungen. Dritte Mitteilung. Stickstoffhaltige Verbindungen., Z. Phys. Chem., 1910, 72, 49-83. [all data]

Jones and Giauque, 1947
Jones, W.M.; Giauque, W.F., The entropy of nitromethane. Heat capacity of solid and liquid. Vapor pressure, heats of fusion and vaporization, J. Am. Chem. Soc., 1947, 69, 983-987. [all data]

Berman and West, 1969
Berman, H.A.; West, E.D., Heat capacity of liquid nitromethane from 35 to 200°C, J. Chem. Eng. Data, 1969, 14, 107-109. [all data]

Hough, Mason, et al., 1950
Hough, E.W.; Mason, D.M.; Sage, B.H., Heat capacities of several organic liquids, J. Am. Chem. Soc., 1950, 72, 5775-5777. [all data]

Williams, 1925
Williams, J.W., A study of the physical properties of nitromethane, J. Am. Chem. Soc., 1925, 47, 2644-2652. [all data]

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

Timmermans, 1952
Timmermans, J., Freezing points of organic compounds. VVI New determinations., Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]

Dreisbach and Martin, 1949
Dreisbach, R.R.; Martin, R.A., Physical Data on Some Organic Compounds, Ind. Eng. Chem., 1949, 41, 2875-8. [all data]

Joukovsky, 1934
Joukovsky, N.I., Experimental Study of the Theory of Concentrated Solutions. XI. Thermodynamic Properties of Concentrated Solutions of Aliphatic Organic Compounds Containing Nitrogen., Bull. Soc. Chim. Belg., 1934, 43, 397. [all data]

Timmermans, 1921
Timmermans, J., The Freezing Points of Organic Substances IV. New Exp. Determinations, Bull. Soc. Chim. Belg., 1921, 30, 62. [all data]

Jones and Giauque, 1947, 2
Jones, W.M.; Giauque, W.F., The Entropy of Nitromethane. Heat Capacity of Solid and Liquid. Vapor Pressure, Heats of Fusion and Vaporizaion, J. Am. Chem. Soc., 1947, 69, 983-7. [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]

Griffin, 1949
Griffin, D.N., The Critical Point of Nitromethane., J. Am. Chem. Soc., 1949, 71, 1423. [all data]

Ambrose, Counsell, et al., 1978
Ambrose, D.; Counsell, J.F.; Hicks, C.P., The correlation and estimation of vapour pressures: II a new procedure for estimation and extrapolation, J. Chem. Thermodyn., 1978, 10, 771. [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]

Berman and West, 1967
Berman, Horace A.; West, Estal Dale, Density and vapor pressure of nitromethane 26.degree. to 200.degree., J. Chem. Eng. Data, 1967, 12, 2, 197-199, https://doi.org/10.1021/je60033a011 . [all data]

McCullough, Scott, et al., 1954
McCullough, J.P.; Scott, D.W.; Pennington, R.E.; Hossenlopp, I.A.; Waddington, Guy, Nitromethane: The Vapor Heat Capacity, Heat of Vaporization, Vapor Pressure and Gas Imperfection; the Chemical Thermodynamic Properties from 0 to 1500°K., J. Am. Chem. Soc., 1954, 76, 19, 4791-4796, https://doi.org/10.1021/ja01648a008 . [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]

Metz, Cyr, et al., 1991
Metz, R.B.; Cyr, D.R.; Neumark, D.M., Study of the 2B1 and 2A2 States of CH2NO2 via Ultraviolet Photoelectron Spectroscopy of the CH2NO2- Anion, J. Phys. Chem., 1991, 95, 7, 2900, https://doi.org/10.1021/j100160a047 . [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]

MacKay and Bohme, 1978
MacKay, G.I.; Bohme, D.K., Proton-Transfer Reactions in Nitromethane at 297K, Int. J. Mass Spectrom. Ion Phys., 1978, 26, 4, 327, https://doi.org/10.1016/0020-7381(78)80052-7 . [all data]

Wincel, 2003
Wincel, H., Gas-phase Solvation of Cl-, NO2-, CH2NO2-, CH3NO2-, and CH3NO4- by CH3NO2, Int. J. Mass Spectrom., 2003, 226, 3, 341-353, https://doi.org/10.1016/S1387-3806(03)00066-6 . [all data]

Sieck, 1985
Sieck, L.W., Thermochemistry of Solvation of NO2- and C6H5NO2- by Polar Molecules in the Vapor Phase. Comparison with Cl- and Variation with Ligand Structure., J. Phys. Chem., 1985, 89, 25, 5552, https://doi.org/10.1021/j100271a049 . [all data]

Riveros, Breda, et al., 1973
Riveros, J.M.; Breda, A.C.; Blair, L.K., Formation and relative stability of chloride ion clusters in the gas phase by ICR spectroscopy, J. Am. Chem. Soc., 1973, 95, 4066. [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ion cyclotron resonance halide-exchange equilibria, J. Phys. Chem., 1984, 88, 1083. [all data]

Meot-Ner (Mautner) and El-Shall, 1986
Meot-Ner (Mautner), M.; El-Shall, M.S., Ionic Charge Transfer Complexes. 1. Cationic Complexes with Delocalized and Partially Localized pi Systems, J. Am. Chem. Soc., 1986, 108, 15, 4386, https://doi.org/10.1021/ja00275a026 . [all data]

Compton, Carman Jr., et al., 1996
Compton, R.N.; Carman Jr.; Desfrancois, C.; Abdoul-Carmine, H.; Schermann, J.P.; Hendricks, J.H., On the binding of Electrons to Nitromethane: Dipole and Valence Bound Anions, J. Chem. Phys., 1996, 105, 9, 3472, https://doi.org/10.1063/1.472993 . [all data]

Meot-Ner, 1984
Meot-Ner, (Mautner)M., The Ionic Hydrogen Bond and Ion Solvation. 1. -NH+ O-, -NH+ N- and -OH+ O- Bonds. Correlations with Proton Affinity. Deviations Due to Structural Effects, J. Am. Chem. Soc., 1984, 106, 5, 1257, https://doi.org/10.1021/ja00317a015 . [all data]

El-Shall and Meot-Ner (Mautner), 1987
El-Shall, M.S.; Meot-Ner (Mautner), M., Ionic Charge Transfer Complexes. 3. Delocalised pi Systems as Electron Acceptors and Donors, J. Phys. Chem., 1987, 91, 5, 1088, https://doi.org/10.1021/j100289a017 . [all data]

Meot-Ner and Field, 1974
Meot-Ner, (Mautner); Field, F.H., Solvation and Association of Protonated Gaseous Amino Acids, J. Am. Chem. Soc., 1974, 96, 10, 3168, https://doi.org/10.1021/ja00817a024 . [all data]

Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L., Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases, J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050 . [all data]

Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P., Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n, J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013 . [all data]

Tanabe, Morgon, et al., 1996
Tanabe, F.K.J.; Morgon, N.H.; Riveros, J.M., Relative Bromide and Iodide Affinity of Simple Solvent Molecules Determined by FT-ICR, J. Phys. Chem., 1996, 100, 8, 2862-2866, https://doi.org/10.1021/jp952290p . [all data]

Hiraoka, Mizure, et al., 1988
Hiraoka, K.; Mizure, S.; Yamabe, S.; Nakatsuji, Y., Gas Phase Clustering Reactions of CN- and CH2CN- with MeCN, Chem. Phys. Lett., 1988, 148, 6, 497, https://doi.org/10.1016/0009-2614(88)80320-8 . [all data]

Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G., Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions, Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103 . [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]

Adams, Schneider, et al., 2009
Adams, C.L.; Schneider, H.; Ervin, K.M.; Weber, J.M., Low-energy photoelectron imaging spectroscopy of nitromethane anions: Electron affinity, vibrational features, anisotropies, and the dipole-bound state, J. Chem. Phys., 2009, 130, 7, 074307, https://doi.org/10.1063/1.3076892 . [all data]

Lecomte, Carles, et al., 2000
Lecomte, F.; Carles, S.; Desfrancois, C.; Johnson, M.A., Dipole bound and valence state coupling in argon-solvated nitromethane anions, J. Chem. Phys., 2000, 113, 24, 10973-10977, https://doi.org/10.1063/1.1326476 . [all data]

Chen, Welk, et al., 1999
Chen, E.C.M.; Welk, N.; Chen, E.S.; Wentworth, W.E., Electron affinity, gas-phase acidity, bond dissociation energy, and negative ion states of nitromethane, J. Phys. Chem. A, 1999, 103, 45, 9072-9079, https://doi.org/10.1021/jp990530l . [all data]

Chen and Wentworth, 1983
Chen, E.C.M.; Wentworth, W.E., Determination of molecular electron affinities using the electron capture detector in the pulse sampling mode at steady state, J. Phys. Chem., 1983, 87, 45. [all data]

Grimsrud, Caldwell, et al., 1985
Grimsrud, E.; Caldwell, G.; Kebarle, P., Electron affinities from electron transfer equilibria: A- + B = A + B-, J. Am. Chem. Soc., 1985, 107, 4627. [all data]

Compton, Reinhardt, et al., 1978
Compton, R.N.; Reinhardt, P.W.; Cooper, C.D., Collisional ionization between alkali atoms and some methane derivatives: Electron affinities for CH3NO2, CF3I, and CF3Br, J. Chem. Phys., 1978, 68, 4360. [all data]

Goebbert, Pichugin, et al., 2009
Goebbert, D.J.; Pichugin, K.; Sanov, A., Low-lying electronic states of CH3NO2 via photoelectron imaging of the nitromethane anion, J. Chem. Phys., 2009, 131, 16, 164308, https://doi.org/10.1063/1.3256233 . [all data]

Pasa-Tolic, Klasine, et al., 1990
Pasa-Tolic, L.; Klasine, L.; McGlynn, S.P., The HeI PE spectrum and electronic structure of nitroethene, Chem. Phys. Lett., 1990, 170, 113. [all data]

Lifshitz, Rejwan, et al., 1988
Lifshitz, C.; Rejwan, M.; Levin, I.; Peres, T., Unimolecular fragmentations of the nitromenthane cation, Int. J. Mass Spectrom. Ion Processes, 1988, 84, 271. [all data]

Ogden, Shaw, et al., 1983
Ogden, I.K.; Shaw, N.; Danby, C.J.; Powis, I., Competing dissociation channels of nitromethane and methyl nitrite ions and the role of electronic and internal modes of excitation, Int. J. Mass Spectrom. Ion Processes, 1983, 54, 41. [all data]

Gilman, Hsieh, et al., 1983
Gilman, J.P.; Hsieh, T.; Meisels, G.G., Competition between isomerization and fragmentation of gaseous ions. II. Nitromethane and methylnitrite ions, J. Chem. Phys., 1983, 78, 1174. [all data]

Katsumata, Shiromaru, et al., 1982
Katsumata, S.; Shiromaru, H.; Mitani, K.; Iwata, S.; Kimura, K., Photoelectron angular distribution and assignments of photoelectron spectra of nitrogen dioxide, nitromethane and nitrobenzene, Chem. Phys., 1982, 69, 423. [all data]

Allam, Migahed, et al., 1982
Allam, S.H.; Migahed, M.D.; El-Khodary, A., Electron impact ionization and dissociation of deuterated and non-deuterated methanol, methyl cyanide, nitromethane and nitrobenzene, Egypt. J. Phys., 1982, 13, 167. [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]

Asbrink, Svensson, et al., 1981
Asbrink, L.; Svensson, A.; Von Niessen, W.; Bieri, G., 30.4 nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1981, 24, 293. [all data]

Allam, Migahed, et al., 1981
Allam, S.H.; Migahed, M.D.; El Khodary, A., Electron impact study of nitrobenzene and nitromethane, Int. J. Mass Spectrom. Ion Phys., 1981, 39, 117. [all data]

Rabalais, 1972
Rabalais, J.W., Photoelectron spectroscopic investigation of the electronic structure of nitromethane and nitrobenzene, J. Chem. Phys., 1972, 57, 960. [all data]

Nicholson, 1970
Nicholson, A.J.C., Determination of bond dissociation energies from photoionization efficiency curves in Recent Developments in Mass Spectrometroscopy, ed. K Ogata and T. Hayakawa, Univ. Park Press, Baltimore, MD, 1970, 745. [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]

Nicholson, 1965
Nicholson, A.J.C., Photoionization-efficiency curves. II. False and genuine structure, J. Chem. Phys., 1965, 43, 1171. [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]

Bajic, Humski, et al., 1985
Bajic, M.; Humski, K.; Klasinc, L.; Ruscic, B., Substitution effects on electronic structure of thiophene, Z. Naturforsch. B:, 1985, 40, 1214. [all data]

Kobayashi, 1978
Kobayashi, T., A simple general tendency in photoelectron angular distributions of some monosubstituted benzenes, Phys. Lett., 1978, 69, 105. [all data]

Rao, 1975
Rao, C.N.R., Lone-pair ionization bands of chromophores in the photoelectron spectra of organic molecules, Indian J. Chem., 1975, 13, 950. [all data]

Kobayashi and Nagakura, 1974
Kobayashi, T.; Nagakura, S., Photoelectron spectra of substituted benzenes, Bull. Chem. Soc. Jpn., 1974, 47, 2563. [all data]

Kobayashi and Nagakura, 1972
Kobayashi, T.; Nagakura, S., Photoelectron spectra of nitro-compounds, Chem. Lett., 1972, 903. [all data]

Kandel, 1955
Kandel, R.J., Appearance potential studies. II. Nitromethane, J. Chem. Phys., 1955, 23, 84. [all data]

Haney and Franklin, 1968
Haney, M.A.; Franklin, J.L., Correlation of excess energies of electron-impact dissociations with the translational energies of the products, J.Chem. Phys., 1968, 48, 4093. [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]

Niwa, Tajima, et al., 1981
Niwa, Y.; Tajima, S.; Tsuchiya, T., Fragmentation of energy-selected nitromethane ions, Int. J. Mass Spectrom. Ion Processes, 1981, 40, 287. [all data]

Collin, 1959
Collin, J., Ionization and dissociation of molecules by monoenergetic electrons. III. On the existence of a bent excited state of NO2+, J. Chem. Phys., 1959, 30, 1621. [all data]

Grammaticakis, 1950
Grammaticakis, P., Contribution a l'etude de l'absorption dans l'ultraviolet moyen des anilines ortho-substituees. III. Orthonitro- et orthocarboxy- anilines N-substituees, Bull. Soc. Chim. Fr., 1950, 17, 158-166. [all data]


Notes

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