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), 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-19.3 ± 0.3kcal/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), 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:
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
Δfliquid-26.9 ± 0.1kcal/molCcbLebedeva and Ryadenko, 1973ALS
Δfliquid-27.03 ± 0.15kcal/molCcbCass, Fletcher, et al., 1958Reanalyzed by Cox and Pilcher, 1970, Original value = -22.2 ± 0.3 kcal/mol; ALS
Δfliquid-21.28 ± 0.18kcal/molCcbHolcomb and Dorsey, 1949ALS
Quantity Value Units Method Reference Comment
Δcliquid-169.6 ± 0.1kcal/molCcbLebedeva and Ryadenko, 1973ALS
Δcliquid-168.0 ± 0.3kcal/molCcbKnobel, Miroshnichenko, et al., 1971ALS
Δcliquid-169.49 ± 0.14kcal/molCcbCass, Fletcher, et al., 1958Reanalyzed by Cox and Pilcher, 1970, Original value = -174.4 ± 0.3 kcal/mol; ALS
Δcliquid-175.25 ± 0.18kcal/molCcbHolcomb and Dorsey, 1949ALS
Δcliquid-169.5kcal/molCcbSwientoslawski, 1910ALS
Quantity Value Units Method Reference Comment
liquid41.049cal/mol*KN/AJones and Giauque, 1947DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
25.387308.Berman and West, 1969T = 308 to 473 K.; DH
26.00313.Hough, Mason, et al., 1950T = 313 to 363 K.; DH
25.330298.15Jones and Giauque, 1947T = 15 to 300 K.; DH
23.9298.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), 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, 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
Pc57.93atmN/AAmbrose, Counsell, et al., 1978Uncertainty assigned by TRC = 0.5788 atm; TRC
Pc62.27atmN/AGriffin, 1949Uncertainty assigned by TRC = 1.0207 atm; 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
Δvap9.0 ± 0.6kcal/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
8.124374.4N/AMajer and Svoboda, 1985 
9.1470298.15N/AJones and Giauque, 1947P = 4.89 kPA; DH
8.41420.AStephenson and Malanowski, 1987Based on data from 405. to 476. K. See also Berman and West, 1967.; AC
8.80343.AStephenson and Malanowski, 1987Based on data from 328. to 410. K. See also McCullough, Scott, et al., 1954.; AC
8.89 ± 0.02318.CMcCullough, Scott, et al., 1954AC
8.68 ± 0.02335.CMcCullough, Scott, et al., 1954AC
8.41 ± 0.02353.CMcCullough, Scott, et al., 1954AC
8.13 ± 0.02374.CMcCullough, Scott, et al., 1954AC

Enthalpy of vaporization

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

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Temperature (K) A (kcal/mol) β Tc (K) Reference Comment
318. to 374.12.750.2732588.Majer and Svoboda, 1985 

Entropy of vaporization

ΔvapS (cal/mol*K) Temperature (K) Reference Comment
30.679298.15Jones and Giauque, 1947P; DH

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
405.0 to 476.4.10781229.574-76.221Berman and West, 1967Coefficents calculated by NIST from author's data.
328.86 to 409.64.399711446.196-45.633McCullough, Scott, et al., 1954Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
2.319244.77Jones and Giauque, 1947DH
2.3244.8Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
9.474244.77Jones 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), 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
Δr358.0 ± 5.0kcal/molD-EAMetz, Cyr, et al., 1991gas phase; B
Δr356.4 ± 2.2kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr357.4 ± 2.9kcal/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Δr349.7 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr350.7 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase; B
Δr350.7 ± 2.0kcal/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
Δr15.60 ± 0.60kcal/molTDAsWincel, 2003gas phase; B
Δr16.70 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Δr16.3 ± 3.0kcal/molIMRBRiveros, Breda, et al., 1973gas phase; Anchored: Larson and McMahon, 1984; B
Quantity Value Units Method Reference Comment
Δr17.1cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr9.20kcal/molTDAsWincel, 2003gas phase; B
Δr11.60 ± 0.10kcal/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
Δr13.00 ± 0.50kcal/molTDAsWincel, 2003gas phase; B
Δr13.10 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.3cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr5.70kcal/molTDAsWincel, 2003gas phase; B
Δr7.60 ± 0.30kcal/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
Δr14.50 ± 0.50kcal/molTDAsWincel, 2003gas phase; B
Δr14.30 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr15.5cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr7.80kcal/molTDAsWincel, 2003gas phase; B
Δr9.70 ± 0.20kcal/molTDAsSieck, 1985gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr14.4kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr18.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.2343.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
Δr13. ± 35.kcal/molN/ACompton, Carman Jr., et al., 1996gas phase; shift in electron detachment from less solvated ion; B
Δr12.80 ± 0.30kcal/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr5.90kcal/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
Δr20.5kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr23.0cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

CH2NO2- + Methane, nitro- = C2H5N2O4-

By formula: CH2NO2- + CH3NO2 = C2H5N2O4-

Quantity Value Units Method Reference Comment
Δr15.90 ± 0.50kcal/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr8.40kcal/molTDAsWincel, 2003gas phase; B

C3H9N3O6- + 3Methane, nitro- = C4H12N4O8-

By formula: C3H9N3O6- + 3CH3NO2 = C4H12N4O8-

Quantity Value Units Method Reference Comment
Δr10.40 ± 0.50kcal/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr3.80kcal/molTDAsWincel, 2003gas phase; B

C2H5N2O4- + 2Methane, nitro- = C3H8N3O6-

By formula: C2H5N2O4- + 2CH3NO2 = C3H8N3O6-

Quantity Value Units Method Reference Comment
Δr13.30 ± 0.70kcal/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr5.80kcal/molTDAsWincel, 2003gas phase; B

C3H8N3O6- + 3Methane, nitro- = C4H11N4O8-

By formula: C3H8N3O6- + 3CH3NO2 = C4H11N4O8-

Quantity Value Units Method Reference Comment
Δr12.60 ± 0.50kcal/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr3.10kcal/molTDAsWincel, 2003gas phase; B

C4H11N4O8- + 4Methane, nitro- = C5H14N5O10-

By formula: C4H11N4O8- + 4CH3NO2 = C5H14N5O10-

Quantity Value Units Method Reference Comment
Δr11.40 ± 0.20kcal/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr1.60kcal/molTDAsWincel, 2003gas phase; B

C2H6N2O6- + 2Methane, nitro- = C3H9N3O8-

By formula: C2H6N2O6- + 2CH3NO2 = C3H9N3O8-

Quantity Value Units Method Reference Comment
Δr10.90 ± 0.60kcal/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr3.70kcal/molTDAsWincel, 2003gas phase; B

C4H12N4O8- + 4Methane, nitro- = C5H15N5O10-

By formula: C4H12N4O8- + 4CH3NO2 = C5H15N5O10-

Quantity Value Units Method Reference Comment
Δr8.40 ± 0.20kcal/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr2.40kcal/molTDAsWincel, 2003gas phase; B

C3H9N3O8- + 3Methane, nitro- = C4H12N4O10-

By formula: C3H9N3O8- + 3CH3NO2 = C4H12N4O10-

Quantity Value Units Method Reference Comment
Δr9.50 ± 0.90kcal/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr2.30kcal/molTDAsWincel, 2003gas phase; B

CH3N2O4- + 2Methane, nitro- = C2H6N3O6-

By formula: CH3N2O4- + 2CH3NO2 = C2H6N3O6-

Quantity Value Units Method Reference Comment
Δr12.40 ± 0.50kcal/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr5.40kcal/molTDAsWincel, 2003gas phase; B

C2H6ClN2O4- + 3Methane, nitro- = C3H9ClN3O6-

By formula: C2H6ClN2O4- + 3CH3NO2 = C3H9ClN3O6-

Quantity Value Units Method Reference Comment
Δr11.10 ± 0.50kcal/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr3.70kcal/molTDAsWincel, 2003gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr11.2kcal/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr22.3cal/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
Δr11.30 ± 0.80kcal/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr3.30kcal/molTDAsWincel, 2003gas phase; B

C3H9N4O8- + 4Methane, nitro- = C4H12N5O10-

By formula: C3H9N4O8- + 4CH3NO2 = C4H12N5O10-

Quantity Value Units Method Reference Comment
Δr9.70 ± 0.30kcal/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr1.60kcal/molTDAsWincel, 2003gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr17.5kcal/molHPMSMeot-Ner and Field, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr21.6cal/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
Δr19.8kcal/molHPMSMeot-Ner and Field, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr27.8cal/mol*KHPMSMeot-Ner and Field, 1974gas phase; M

C3H9ClN3O6- + 4Methane, nitro- = C4H12ClN4O8-

By formula: C3H9ClN3O6- + 4CH3NO2 = C4H12ClN4O8-

Quantity Value Units Method Reference Comment
Δr9.6 ± 1.0kcal/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr2.70kcal/molTDAsWincel, 2003gas phase; B

C4H12N4O10- + 4Methane, nitro- = C5H15N5O12-

By formula: C4H12N4O10- + 4CH3NO2 = C5H15N5O12-

Quantity Value Units Method Reference Comment
Δr6.00kcal/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr0.60kcal/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
Δr39.5kcal/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
Δr15.20 ± 0.20kcal/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
Δr9.6 ± 2.0kcal/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
Δr12.2 ± 1.0kcal/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), 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: 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), 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)180.4kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity172.5kcal/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
Δr358.0 ± 5.0kcal/molD-EAMetz, Cyr, et al., 1991gas phase; B
Δr356.4 ± 2.2kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr357.4 ± 2.9kcal/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Δr349.7 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr350.7 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase; B
Δr350.7 ± 2.0kcal/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), 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. 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
Δr9.6 ± 2.0kcal/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
Δr15.90 ± 0.50kcal/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr8.40kcal/molTDAsWincel, 2003gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr15.20 ± 0.20kcal/molN/ACompton, Carman Jr., et al., 1996gas phase; Shift in electron detachment from non-solvated ion; B

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

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

Quantity Value Units Method Reference Comment
Δr13. ± 35.kcal/molN/ACompton, Carman Jr., et al., 1996gas phase; shift in electron detachment from less solvated ion; B
Δr12.80 ± 0.30kcal/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr5.90kcal/molTDAsWincel, 2003gas phase; B

CH3N2O4- + 2Methane, nitro- = C2H6N3O6-

By formula: CH3N2O4- + 2CH3NO2 = C2H6N3O6-

Quantity Value Units Method Reference Comment
Δr12.40 ± 0.50kcal/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr5.40kcal/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
Δr20.5kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr23.0cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

C2H5N2O4- + 2Methane, nitro- = C3H8N3O6-

By formula: C2H5N2O4- + 2CH3NO2 = C3H8N3O6-

Quantity Value Units Method Reference Comment
Δr13.30 ± 0.70kcal/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr5.80kcal/molTDAsWincel, 2003gas phase; B

C2H6ClN2O4- + 3Methane, nitro- = C3H9ClN3O6-

By formula: C2H6ClN2O4- + 3CH3NO2 = C3H9ClN3O6-

Quantity Value Units Method Reference Comment
Δr11.10 ± 0.50kcal/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr3.70kcal/molTDAsWincel, 2003gas phase; B

C2H6N2O6- + 2Methane, nitro- = C3H9N3O8-

By formula: C2H6N2O6- + 2CH3NO2 = C3H9N3O8-

Quantity Value Units Method Reference Comment
Δr10.90 ± 0.60kcal/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr3.70kcal/molTDAsWincel, 2003gas phase; B

C2H6N3O6- + 3Methane, nitro- = C3H9N4O8-

By formula: C2H6N3O6- + 3CH3NO2 = C3H9N4O8-

Quantity Value Units Method Reference Comment
Δr11.30 ± 0.80kcal/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr3.30kcal/molTDAsWincel, 2003gas phase; B

C3H8N3O6- + 3Methane, nitro- = C4H11N4O8-

By formula: C3H8N3O6- + 3CH3NO2 = C4H11N4O8-

Quantity Value Units Method Reference Comment
Δr12.60 ± 0.50kcal/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr3.10kcal/molTDAsWincel, 2003gas phase; B

C3H9ClN3O6- + 4Methane, nitro- = C4H12ClN4O8-

By formula: C3H9ClN3O6- + 4CH3NO2 = C4H12ClN4O8-

Quantity Value Units Method Reference Comment
Δr9.6 ± 1.0kcal/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr2.70kcal/molTDAsWincel, 2003gas phase; B

C3H9N3O6- + 3Methane, nitro- = C4H12N4O8-

By formula: C3H9N3O6- + 3CH3NO2 = C4H12N4O8-

Quantity Value Units Method Reference Comment
Δr10.40 ± 0.50kcal/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr3.80kcal/molTDAsWincel, 2003gas phase; B

C3H9N3O8- + 3Methane, nitro- = C4H12N4O10-

By formula: C3H9N3O8- + 3CH3NO2 = C4H12N4O10-

Quantity Value Units Method Reference Comment
Δr9.50 ± 0.90kcal/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr2.30kcal/molTDAsWincel, 2003gas phase; B

C3H9N4O8- + 4Methane, nitro- = C4H12N5O10-

By formula: C3H9N4O8- + 4CH3NO2 = C4H12N5O10-

Quantity Value Units Method Reference Comment
Δr9.70 ± 0.30kcal/molN/AWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr1.60kcal/molTDAsWincel, 2003gas phase; B

C4H11N4O8- + 4Methane, nitro- = C5H14N5O10-

By formula: C4H11N4O8- + 4CH3NO2 = C5H14N5O10-

Quantity Value Units Method Reference Comment
Δr11.40 ± 0.20kcal/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr1.60kcal/molTDAsWincel, 2003gas phase; B

C4H12N4O8- + 4Methane, nitro- = C5H15N5O10-

By formula: C4H12N4O8- + 4CH3NO2 = C5H15N5O10-

Quantity Value Units Method Reference Comment
Δr8.40 ± 0.20kcal/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr2.40kcal/molTDAsWincel, 2003gas phase; B

C4H12N4O10- + 4Methane, nitro- = C5H15N5O12-

By formula: C4H12N4O10- + 4CH3NO2 = C5H15N5O12-

Quantity Value Units Method Reference Comment
Δr6.00kcal/molTDAsWincel, 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr0.60kcal/molTDAsWincel, 2003gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr17.5kcal/molHPMSMeot-Ner and Field, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr21.6cal/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
Δr19.8kcal/molHPMSMeot-Ner and Field, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr27.8cal/mol*KHPMSMeot-Ner and Field, 1974gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr14.4kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr18.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.2343.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

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

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

Quantity Value Units Method Reference Comment
Δr11.2kcal/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr22.3cal/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr15.60 ± 0.60kcal/molTDAsWincel, 2003gas phase; B
Δr16.70 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Δr16.3 ± 3.0kcal/molIMRBRiveros, Breda, et al., 1973gas phase; Anchored: Larson and McMahon, 1984; B
Quantity Value Units Method Reference Comment
Δr17.1cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr9.20kcal/molTDAsWincel, 2003gas phase; B
Δr11.60 ± 0.10kcal/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
Δr13.00 ± 0.50kcal/molTDAsWincel, 2003gas phase; B
Δr13.10 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.3cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr5.70kcal/molTDAsWincel, 2003gas phase; B
Δr7.60 ± 0.30kcal/molTDAsSieck, 1985gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr12.2 ± 1.0kcal/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M

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

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

Quantity Value Units Method Reference Comment
Δr39.5kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970; M

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

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

Quantity Value Units Method Reference Comment
Δr14.50 ± 0.50kcal/molTDAsWincel, 2003gas phase; B
Δr14.30 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr15.5cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr7.80kcal/molTDAsWincel, 2003gas phase; B
Δr9.70 ± 0.20kcal/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), Gas Chromatography, 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, 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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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.


Gas Chromatography

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

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