Methane, nitro-

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Gas phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, 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
Δfgas-81. ± 1.kJ/molCcbKnobel, Miroshnichenko, et al., 1971 

Phase change data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, 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, Chris Muzny 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, 1947Uncertainty 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Pc63.10barN/AGriffin, 1949Uncertainty assigned by TRC = 1.0342 bar; from value pf vapor pressure at Tc, based on unpublished measurements; TRC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
ρc5.77mol/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
Δvap38. ± 3.kJ/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
33.99374.4N/AMajer and Svoboda, 1985 
38.271298.15N/AJones and Giauque, 1947, 2P = 4.89 kPA; DH
35.2420.AStephenson and Malanowski, 1987Based on data from 405. to 476. K. See also Berman and West, 1967.; AC
36.8343.AStephenson and Malanowski, 1987Based on data from 328. to 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) β Tc (K) Reference Comment
318. to 374.53.330.2732588.Majer and Svoboda, 1985 

Entropy of vaporization

ΔvapS (J/mol*K) Temperature (K) Reference Comment
128.36298.15Jones and Giauque, 1947, 2P; 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 to 476.4.11351229.574-76.221Berman and West, 1967Coefficents calculated by NIST from author's data.
328.86 to 409.64.405421446.196-45.633McCullough, Scott, et al., 1954Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
9.703244.77Jones and Giauque, 1947, 2DH
9.7244.8Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
39.64244.77Jones and Giauque, 1947, 2DH

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


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, 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
Δr1498. ± 21.kJ/molD-EAMetz, Cyr, et al., 1991gas phase; B
Δr1491. ± 9.2kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr1495. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Δr1463. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr1467. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B
Δr1467. ± 8.4kJ/molIMREMacKay and Bohme, 1978gas phase; EA: < NO2; B

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

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

Quantity Value Units Method Reference Comment
Δr65.3 ± 2.5kJ/molTDAsWincel, 2003gas phase; B
Δr69.87 ± 0.42kJ/molTDAsSieck, 1985gas phase; B,M
Δr68. ± 13.kJ/molIMRBRiveros, Breda, et al., 1973gas phase; Anchored: Larson and McMahon, 1984; B
Quantity Value Units Method Reference Comment
Δr71.5J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr38.5kJ/molTDAsWincel, 2003gas phase; B
Δr48.53 ± 0.42kJ/molTDAsSieck, 1985gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr54.4 ± 2.1kJ/molTDAsWincel, 2003gas phase; B
Δr54.81 ± 0.42kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr76.6J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr23.8kJ/molTDAsWincel, 2003gas phase; B
Δr31.8 ± 1.3kJ/molTDAsSieck, 1985gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr60.7 ± 2.1kJ/molTDAsWincel, 2003gas phase; B
Δr59.83 ± 0.42kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr64.9J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr32.6kJ/molTDAsWincel, 2003gas phase; B
Δr40.6 ± 0.84kJ/molTDAsSieck, 1985gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr60.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr75.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
Δr50. ± 150.kJ/molN/ACompton, Carman Jr., et al., 1996gas phase; shift in electron detachment from less solvated ion; B
Δr53.6 ± 1.3kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr24.7kJ/molTDAsWincel, 2003gas phase; B

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

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

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

Quantity Value Units Method Reference Comment
Δr85.8kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr96.2J/mol*KPHPMSMeot-Ner, 1984gas phase; M

CH2NO2- + Methane, nitro- = C2H5N2O4-

By formula: CH2NO2- + CH3NO2 = C2H5N2O4-

Quantity Value Units Method Reference Comment
Δr66.5 ± 2.1kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr35.1kJ/molTDAsWincel, 2003gas phase; B

C3H9N3O6- + 3Methane, nitro- = C4H12N4O8-

By formula: C3H9N3O6- + 3CH3NO2 = C4H12N4O8-

Quantity Value Units Method Reference Comment
Δr43.5 ± 2.1kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr15.9kJ/molTDAsWincel, 2003gas phase; B

C2H5N2O4- + 2Methane, nitro- = C3H8N3O6-

By formula: C2H5N2O4- + 2CH3NO2 = C3H8N3O6-

Quantity Value Units Method Reference Comment
Δr55.6 ± 2.9kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr24.3kJ/molTDAsWincel, 2003gas phase; B

C3H8N3O6- + 3Methane, nitro- = C4H11N4O8-

By formula: C3H8N3O6- + 3CH3NO2 = C4H11N4O8-

Quantity Value Units Method Reference Comment
Δr52.7 ± 2.1kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr13.0kJ/molTDAsWincel, 2003gas phase; B

C4H11N4O8- + 4Methane, nitro- = C5H14N5O10-

By formula: C4H11N4O8- + 4CH3NO2 = C5H14N5O10-

Quantity Value Units Method Reference Comment
Δr47.70 ± 0.84kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr6.69kJ/molTDAsWincel, 2003gas phase; B

C2H6N2O6- + 2Methane, nitro- = C3H9N3O8-

By formula: C2H6N2O6- + 2CH3NO2 = C3H9N3O8-

Quantity Value Units Method Reference Comment
Δr45.6 ± 2.5kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr15.5kJ/molTDAsWincel, 2003gas phase; B

C4H12N4O8- + 4Methane, nitro- = C5H15N5O10-

By formula: C4H12N4O8- + 4CH3NO2 = C5H15N5O10-

Quantity Value Units Method Reference Comment
Δr35.1 ± 0.84kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr10.0kJ/molTDAsWincel, 2003gas phase; B

C3H9N3O8- + 3Methane, nitro- = C4H12N4O10-

By formula: C3H9N3O8- + 3CH3NO2 = C4H12N4O10-

Quantity Value Units Method Reference Comment
Δr39.7 ± 3.8kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr9.62kJ/molTDAsWincel, 2003gas phase; B

CH3N2O4- + 2Methane, nitro- = C2H6N3O6-

By formula: CH3N2O4- + 2CH3NO2 = C2H6N3O6-

Quantity Value Units Method Reference Comment
Δr51.9 ± 2.1kJ/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr22.6kJ/molTDAsWincel, 2003gas phase; B

C2H6ClN2O4- + 3Methane, nitro- = C3H9ClN3O6-

By formula: C2H6ClN2O4- + 3CH3NO2 = C3H9ClN3O6-

Quantity Value Units Method Reference Comment
Δr46.4 ± 2.1kJ/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr15.5kJ/molTDAsWincel, 2003gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr46.9kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr93.3J/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
Δr47.3 ± 3.3kJ/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr13.8kJ/molTDAsWincel, 2003gas phase; B

C3H9N4O8- + 4Methane, nitro- = C4H12N5O10-

By formula: C3H9N4O8- + 4CH3NO2 = C4H12N5O10-

Quantity Value Units Method Reference Comment
Δr40.6 ± 1.3kJ/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr6.69kJ/molTDAsWincel, 2003gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr73.2kJ/molHPMSMeot-Ner and Field, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr90.4J/mol*KHPMSMeot-Ner and Field, 1974gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr82.8kJ/molHPMSMeot-Ner and Field, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr116.J/mol*KHPMSMeot-Ner and Field, 1974gas phase; M

C3H9ClN3O6- + 4Methane, nitro- = C4H12ClN4O8-

By formula: C3H9ClN3O6- + 4CH3NO2 = C4H12ClN4O8-

Quantity Value Units Method Reference Comment
Δr40. ± 4.2kJ/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr11.3kJ/molTDAsWincel, 2003gas phase; B

C4H12N4O10- + 4Methane, nitro- = C5H15N5O12-

By formula: C4H12N4O10- + 4CH3NO2 = C5H15N5O12-

Quantity Value Units Method Reference Comment
Δr25.1kJ/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr2.5kJ/molTDAsWincel, 2003gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr165.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970; M

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

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

Quantity Value Units Method Reference Comment
Δr63.60 ± 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
Δr40. ± 8.4kJ/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B

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

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

Quantity Value Units Method Reference Comment
Δr51.0 ± 4.2kJ/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, 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., 1985ΔGea(423 K) = -12.1 kcal/mol; ΔSea (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
Δr1498. ± 21.kJ/molD-EAMetz, Cyr, et al., 1991gas phase; B
Δr1491. ± 9.2kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr1495. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Δr1463. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr1467. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B
Δr1467. ± 8.4kJ/molIMREMacKay and Bohme, 1978gas phase; EA: < NO2; B

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, UV/Visible spectrum, Gas Chromatography, 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, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, 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

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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: 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-1100.527.85Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. μm
CapillaryHP-1110.528.16Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. μm
CapillaryHP-1120.528.60Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. μm
CapillaryHP-120.531.15Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. μm
CapillaryHP-130.530.05Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. μm
CapillaryHP-140.529.26Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. μm
CapillaryHP-150.528.66Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. μm
CapillaryHP-160.528.15Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. μm
CapillaryHP-170.527.88Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. μm
CapillaryHP-180.527.75Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. μm
CapillaryHP-190.526.13Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. μm
PackedOV-1130.556.Gurevich and Roshchina, 2003He or N2, Gas-Chrom Q
PackedApolane100.500.Castello and D'Amato, 1983He, Chromosorb G; Column length: 3. m
PackedApolane200.500.Castello and D'Amato, 1983He, Chromosorb G; Column length: 3. m
PackedSE-30100.536.Winskowski, 1983Gaschrom Q; Column length: 2. m
PackedSF-96100.565.Boneva and Dimov, 1979N2; Column length: 2. m
PackedSF-96110.565.Boneva and Dimov, 1979N2; Column length: 2. m
PackedSF-9690.565.Boneva and Dimov, 1979N2; Column length: 2. m
PackedApiezon L150.512.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySPB-1543.6Castello, Timossi, et al., 1988N2; Column length: 60. m; Column diameter: 0.75 mm; Program: not specified

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryHP-Innowax100.1187.8Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 μm
CapillaryHP-Innowax110.1188.5Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 μm
CapillaryHP-Innowax120.1190.2Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 μm
CapillaryHP-Innowax50.1178.5Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 μm
CapillaryHP-Innowax60.1179.2Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 μm
CapillaryHP-Innowax70.1180.6Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 μm
CapillaryHP-Innowax80.1182.9Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 μm
CapillaryHP-Innowax90.1184.7Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 μm
PackedCarbowax 20M75.1172.Goebel, 1982N2, Kieselgur (60-100 mesh); Column length: 2. m

Kovats' RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPEG-20M1159.Slizhov and Gavrilenko, 2001He; Column length: 10. m; Column diameter: 0.2 mm; Program: not specified
CapillarySupelcowax-101160.9Castello, Timossi, et al., 1988N2; Column length: 60. m; Column diameter: 0.75 mm; Program: not specified

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101531.Zenkevich, 200525. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C
CapillaryDB-1521.Habu, Flath, et al., 19853. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone487.N/AProgram: not specified
CapillarySPB-1526.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryPolydimethyl siloxanes531.Zenkevich and Chupalov, 1996Program: not specified
CapillaryDB-1521.Schuberth, 199430. m/0.25 mm/1. μm, He; Program: 40C (4min) => 10C/min => 200C => 50C/min => 250C
CapillarySPB-1526.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1565.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.536.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1565.Ramsey and Flanagan, 1982Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1177.Shimadzu, 201230. m/0.32 mm/0.50 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C
CapillaryDB-Wax1177.Shimadzu Corporation, 200330. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1154.Ramsey and Flanagan, 1982Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, 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]

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

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

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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
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]

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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]

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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]

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Notes

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