Benzene, nitro-

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Gas phase thermochemistry data

Go To: Top, Phase change 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas68.53 ± 0.67kJ/molCcbLebedeva, Katin, et al., 1971Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 65.77 ± 0.42 kJ/mol

Phase change data

Go To: Top, Gas phase thermochemistry 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
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
Tboil484. ± 2.KAVGN/AAverage of 24 out of 25 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus278.9 ± 0.2KAVGN/AAverage of 16 values; Individual data points
Quantity Value Units Method Reference Comment
Δvap54.5kJ/molCGCChickos, Hosseini, et al., 1995Based on data from 313. to 353. K.; AC
Δvap55.013 ± 0.018kJ/molCKusano and Wadso, 1971ALS
Δvap55.0kJ/molN/AKusano and Wadsö, 1971AC
Δvap56.1 ± 1.7kJ/molMELebedeva, Katin, et al., 1971, 2Based on data from 291. to 305. K.; AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
54.7287.AStephenson and Malanowski, 1987Based on data from 279. to 296. K. See also Dykyj, 1972 and Lynch and Wilke, 1960.; AC
54.3303.N/AZaraiskii, 1985Based on data from 288. to 318. K.; AC
56.1 ± 0.42291.VLebedeva, Katin, et al., 1971ALS
52.5293.MESklyarenko, Markin, et al., 1958Based on data from 283. to 303. K.; AC
48.5422.N/AOliver and Grisard, 1952Based on data from 407. to 483. K. See also Boublik, Fried, et al., 1984.; AC
48.9425.N/AToral and Moles, 1933Based on data from 369. to 481. K.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
407.3 to 483.784.215531727.592-73.438Brown, 1952Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
12.12278.8Domalski and Hearing, 1996AC
10.815278.9Pacor, 1967DH
12.121278.8Parks, Todd, et al., 1936DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
38.8278.9Pacor, 1967DH
43.48278.8Parks, Todd, et al., 1936DH

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:


Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change 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 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
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
LL - Sharon G. Lias and Joel F. Liebman

Quantity Value Units Method Reference Comment
IE (evaluated)9.94 ± 0.08eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)800.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity769.5kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
1.000 ± 0.010LPESDesfrancois, Periquet, et al., 1999B
1.01 ± 0.10TDEqChowdhury, Heinis, et al., 1986ΔGea(423 K) = -22.8 kcal/mol; ΔSea = -1.0 eu.; B
1.00 ± 0.060TDAsChen, Wiley, et al., 1994B
1.00 ± 0.020ECDChen, Chen, et al., 1992B
1.019 ± 0.048IMREFukuda and McIver, 1985ΔGea(355 K) = -23.1 kcal/mol; ΔSea =-1.0, est. from data in Chowdhury, Heinis, et al., 1986; B
<1.180 ± 0.050PDMock and Grimsrud, 1989B
<1.09997IMRBHenglein and Muccini, 1959EA: < SO2; B
>0.70 ± 0.20EndoLifshitz, Tiernan, et al., 1973B
>0.39999ESCompton, Christophorou, et al., 1966B

Ionization energy determinations

IE (eV) Method Reference Comment
~9.67PEKlasinc, Kovac, et al., 1983LBLHLM
9.8PEKatsumata, Shiromaru, et al., 1982LBLHLM
10.16 ± 0.08EIAllam, Migahed, et al., 1982LBLHLM
9.92PEKimura, Katsumata, et al., 1981LLK
10.16 ± 0.08EIAllam, Migahed, et al., 1981LLK
9.87 ± 0.05PIMatyuk, Potapov, et al., 1979LLK
9.93PEBehan, Johnstone, et al., 1976LLK
9.6EIMcLafferty, Bente, et al., 1973LLK
9.99PEKhalil, Meeks, et al., 1973LLK
9.99 ± 0.01PERabalais, 1972LLK
9.85 ± 0.03PIKotov and Potapov, 1972LLK
9.94 ± 0.025PEJohnstone and Mellon, 1972LLK
9.90EIJohnstone, Mellon, et al., 1971LLK
9.86 ± 0.05PEJohnstone, Mellon, et al., 1970RDSH
9.90 ± 0.03EIJohnstone, Mellon, et al., 1970RDSH
10.16 ± 0.04EIBuchs, 1970RDSH
9.7 ± 0.1EIBrown, 1970RDSH
9.92PIWatanabe, Nakayama, et al., 1962RDSH
9.86PEKlasinc, Kovac, et al., 1983Vertical value; LBLHLM
9.9PEKatsumata, Shiromaru, et al., 1982Vertical value; LBLHLM
9.92PEPalmer, Moyes, et al., 1979Vertical value; LLK
9.93PEKobayashi, 1978Vertical value; LLK
10.8PERao, 1975Vertical value; LLK
9.93PEKobayashi and Nagakura, 1974Vertical value; LLK
10.1 ± 0.1SIGol'denfel'd, Korostyshevskii, et al., 1973Vertical value; LLK
9.88 ± 0.015PEKobayashi and Nagakura, 1972Vertical value; LLK
10.26PEBaker, May, et al., 1968Vertical value; RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H3+12.63 ± 0.15C2H2+CO+NOPIPECONishimura, Das, et al., 1986LBLHLM
C4H3+15.66 ± 0.15C2H2+NO2PIPECONishimura, Das, et al., 1986LBLHLM
C4H3+11.40 ± 0.05NO+C2H2OPIPECOPanczel and Baer, 1984T = 298K; LBLHLM
C4H3+11.54 ± 0.05NO+C2H2OPIPECOPanczel and Baer, 1984T = 0K; LBLHLM
C4H3+16.31 ± 0.08?EIAllam, Migahed, et al., 1982LBLHLM
C5H5+11.08 ± 0.16CO+NOPIPECONishimura, Das, et al., 1986LBLHLM
C5H5+11.30 ± 0.05CO+NOPIPECOPanczel and Baer, 1984T = 298K; LBLHLM
C5H5+11.44 ± 0.05CO+NOPIPECOPanczel and Baer, 1984T = 0K; LBLHLM
C6H5+11.51 ± 0.35NO2CADKatritzky, Watson, et al., 1990LL
C6H5+11.08 ± 0.16NO2PIPECONishimura, Das, et al., 1986LBLHLM
C6H5+11.14 ± 0.05NO2PIPECOPanczel and Baer, 1984T = 298K; LBLHLM
C6H5+11.28 ± 0.05NO2PIPECOPanczel and Baer, 1984T = 0K; LBLHLM
C6H5+12.14 ± 0.08NO2EIAllam, Migahed, et al., 1982LBLHLM
C6H5+9.46 ± 0.05NO2PIMatyuk, Potapov, et al., 1979LLK
C6H5+11.9 ± 0.1NO2EIBrown, 1970RDSH
C6H5+12.16?EIHowe and Williams, 1969RDSH
C6H5O+10.68 ± 0.35NOCADKatritzky, Watson, et al., 1990LL
C6H5O+10.89 ± 0.04NOPIPECONishimura, Das, et al., 1986LBLHLM
C6H5O+10.98 ± 0.05NOPIPECOPanczel and Baer, 1984T = 298K; LBLHLM
C6H5O+11.12 ± 0.05NOPIPECOPanczel and Baer, 1984T = 0K; LBLHLM
C6H5O+10.95 ± 0.05NOPIMatyuk, Potapov, et al., 1979LLK
C6H5O+10.4 ± 0.1NOEIBrown, 1970RDSH
NO+10.89 ± 0.04C6H5OPIPECONishimura, Das, et al., 1986LBLHLM
NO+11.18 ± 0.05C6H5OPIPECOPanczel and Baer, 1984T = 0K; LBLHLM
NO+11.04 ± 0.05C6H5OPIPECOPanczel and Baer, 1984T = 298K; LBLHLM

De-protonation reactions

C6H4NO2- + Hydrogen cation = Benzene, nitro-

By formula: C6H4NO2- + H+ = C6H5NO2

Quantity Value Units Method Reference Comment
Δr1577. ± 13.kJ/molG+TSCheng and Grabowski, 1989gas phase; between EtOH, iPrOH; B
Δr1482. ± 13.kJ/molG+TSMeot-ner and Kafafi, 1988gas phase; acidity stronger than all levels of computation by 25 kcal/mol; B
Quantity Value Units Method Reference Comment
Δr1545. ± 13.kJ/molIMRBCheng and Grabowski, 1989gas phase; between EtOH, iPrOH; B
Δr1450. ± 13.kJ/molIMRBMeot-ner and Kafafi, 1988gas phase; acidity stronger than all levels of computation by 25 kcal/mol; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics 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 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 + Benzene, nitro- = (Bromine anion • Benzene, nitro-)

By formula: Br- + C6H5NO2 = (Br- • C6H5NO2)

Quantity Value Units Method Reference Comment
Δr62.8 ± 7.5kJ/molTDAsPaul and Kebarle, 1991gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
Δr84.5J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr27. ± 4.2kJ/molTDAsPaul and Kebarle, 1991gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
27.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

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

By formula: C6H7N+ + C6H5NO2 = (C6H7N+ • C6H5NO2)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr74.1kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr88.7J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
44.8324.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M

Perfluoro(methylcyclohexane) anion + Benzene, nitro- = (Perfluoro(methylcyclohexane) anion • Benzene, nitro-)

By formula: C7F14- + C6H5NO2 = (C7F14- • C6H5NO2)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
28.300.PHPMSChowdhury and Kebarle, 1986gas phase; M

Perfluoro(methylcyclohexane) anion + Benzene, nitro- = C13H5F14NO2-

By formula: C7F14- + C6H5NO2 = C13H5F14NO2-

Quantity Value Units Method Reference Comment
Δr28. ± 4.2kJ/molIMREChowdhury and Kebarle, 1986gas phase; B

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

By formula: C11H10+ + C6H5NO2 = (C11H10+ • C6H5NO2)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr54.8kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M

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

By formula: Cl- + C6H5NO2 = (Cl- • C6H5NO2)

Quantity Value Units Method Reference Comment
Δr68.2 ± 4.2kJ/molTDAsChowdhury and Kebarle, 1986gas phase; B,M
Δr69.0kJ/molPHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/APaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Δr81.2J/mol*KPHPMSChowdhury and Kebarle, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr43.9 ± 6.7kJ/molTDAsChowdhury and Kebarle, 1986gas phase; B
Δr29.7kJ/molTDEqFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
43.9300.PHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
32.300.PHPMSFrench, Ikuta, et al., 1982gas phase; M

F6S- + Benzene, nitro- = (F6S- • Benzene, nitro-)

By formula: F6S- + C6H5NO2 = (F6S- • C6H5NO2)

Quantity Value Units Method Reference Comment
Δr62.3 ± 4.2kJ/molTDAsChowdhury and Kebarle, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr28. ± 6.7kJ/molTDAsChowdhury and Kebarle, 1986gas phase; B

F6S- + Benzene, nitro- = (F6S- • Benzene, nitro-)

By formula: F6S- + C6H5NO2 = (F6S- • C6H5NO2)

Quantity Value Units Method Reference Comment
Δr62.3kJ/molPHPMSChowdhury and Kebarle, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr115.J/mol*KPHPMSChowdhury and Kebarle, 1986gas phase; M

Nitric oxide anion + Benzene, nitro- = (Nitric oxide anion • Benzene, nitro-)

By formula: NO- + C6H5NO2 = (NO- • C6H5NO2)

Quantity Value Units Method Reference Comment
Δr164.kJ/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

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

By formula: NO2- + C6H5NO2 = (NO2- • C6H5NO2)

Quantity Value Units Method Reference Comment
Δr59.4 ± 8.4kJ/molTDAsGrimsrud, Chowdhury, et al., 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr73.2J/mol*KPHPMSGrimsrud, Chowdhury, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr37. ± 8.4kJ/molTDAsGrimsrud, Chowdhury, et al., 1986gas phase; B

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

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

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


Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR 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
PackedC78, Branched paraffin130.1049.4Dallos, Sisak, et al., 2000He; Column length: 3.3 m
PackedOV-101100.1058.3Righezza, Hassani, et al., 1996N2, Chromosorb G HP; Column length: 5. m
PackedOV-101110.1066.7Righezza, Hassani, et al., 1996N2, Chromosorb G HP; Column length: 5. m
PackedOV-10180.1049.2Righezza, Hassani, et al., 1996N2, Chromosorb G HP; Column length: 5. m
PackedOV-10190.1057.4Righezza, Hassani, et al., 1996N2, Chromosorb G HP; Column length: 5. m
PackedOV-101120.1068.5Hassani and Meklati, 1992N2, Chromosorb G HP; Column length: 5. m
PackedC78, Branched paraffin130.1048.2Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
PackedApolane130.1054.Dutoit, 1991Column length: 3.7 m
PackedSE-30180.1103.Oszczapowicz, Osek, et al., 1985N2, Chromosorb A AW; Column length: 3. m
PackedSE-30180.1103.Oszczapowicz, Osek, et al., 1984N2, Chromosorb W AW; Column length: 3. m
PackedSE-30150.1085.Tiess, 1984Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
PackedSqualane100.1075.Evans and Newton, 1976N2, Chromosorb G; Column length: 2. m
PackedSqualane100.1075.Evans and Newton, 1976N2, Chromosorb G; Column length: 2. m
PackedSqualane100.1076.Evans and Newton, 1976N2, Chromosorb G; Column length: 2. m
PackedSE-30204.1114.Mitchell and Vernon, 1972 
PackedApiezon L100.1071.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedApiezon L130.1088.Wehrli and Kováts, 1959Celite; Column length: 2.25 m

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51100.00Hobbs and Conde, 199230. m/0.25 mm/0.25 μm, 5. K/min; Tstart: 40. C; Tend: 300. C
CapillaryDB-51100.00Hobbs and Conde, 199230. m/0.25 mm/0.25 μm, 5. K/min; Tstart: 40. C; Tend: 300. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1088.8Andriamaharavo, 201430. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedSE-3090.1076.Zenkevich and Ivleva, 2011Nitrogen, Inerton N (80-100 mesh); Column length: 1.5 m
PackedSE-3090.1081.Zenkevich and Ivleva, 2011Nitrogen, Inerton N (80-100 mesh); Column length: 1.5 m
CapillaryPolydimethyl siloxane105.1059.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane75.1046.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane90.1052.Tello, Lebron-Aguilar, et al., 2009 
CapillaryMethyl Silicone100.1056.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.1066.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone140.1076.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone80.1047.Lebrón-Aguilar, Quintanilla-López, et al., 2007 

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-1011059.Zenkevich and Tsibulskaya, 1989Helium, 75. C @ 0. min, 6. K/min, 220. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm
CapillaryOV-1011062.Zenkevich and Tsibulskaya, 1989Helium, 75. C @ 0. min, 6. K/min, 220. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm
CapillarySE-541084.Harland, Cumming, et al., 1986He, 50. C @ 2. min, 8. K/min, 250. C @ 12. min; Column length: 25. m; Column diameter: 0.32 mm

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

View large format table.

Column type Active phase I Reference Comment
PackedSE-301062.Zenkevich and Ivleva, 2011Nitrogen, Inerton N (80-100 mesh); Column length: 1.5 m; Program: not specified
CapillaryOV-1011068.Ebrahimi and Hadjmohammadi, 2006Program: not specified
CapillaryMethyl Silicone1062.Zenkevich and Tsibulskaya, 1997Program: not specified
CapillarySPB-11046.Vezzani, Moretti, et al., 1994Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1011057.Zenkevich and Malamakhov, 1987He; Column length: 50. m; Column diameter: 0.24 mm; Program: not specified
CapillaryOV-11046.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1046.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySuperox 0.6; Carbowax 20M1683.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.1683.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Lee's RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5MS180.05Chen, Keeran, et al., 200230. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Gas Chromatography, Notes

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

Lebedeva, Katin, et al., 1971
Lebedeva, N.D.; Katin, Y.A.; Akhmedova, G.Y., Standard enthalpy of formation of nitrobenzene, Russ. J. Phys. Chem. (Engl. Transl.), 1971, 45, 1192-1193. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G., Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times, Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3 . [all data]

Kusano and Wadso, 1971
Kusano, K.; Wadso, I., Enthalpy of vaporization of some organic substances at 25.0°C and test of calorimeter, Bull. Chem. Soc. Jpn., 1971, 44, 1705-17. [all data]

Kusano and Wadsö, 1971
Kusano, Kazuhito; Wadsö, Ingemar, Enthalpy of Vaporization of Some Organic Substances at 25.0°C and Test of Calorimeter, Bull. Chem. Soc. Jpn., 1971, 44, 6, 1705-1707, https://doi.org/10.1246/bcsj.44.1705 . [all data]

Lebedeva, Katin, et al., 1971, 2
Lebedeva, N.D.; Katin, Y.A.; Akhmedova, G.Y., Russ. J. Phys. Chem., 1971, 45, 8, 1192. [all data]

Stephenson and Malanowski, 1987
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Notes

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