Benzoic acid

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
103.47298.15Stull D.R., 1969These values were calculated from preliminary assignment of vibrational frequencies. Statistical calculation [ Ali N., 1983] seems to be erroneous.
104.01300.
138.36400.
170.54500.
196.73600.
217.82700.
234.89800.
248.95900.
260.661000.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, 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
Δcliquid-3227.00 ± 0.20kJ/molCcbGundry, Harrop, et al., 1969Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -3225.73 kJ/mol; Corresponding Δfliquid = -385.06 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
Δfsolid-384.8 ± 0.50kJ/molCcbCorral, 1960ALS
Δfsolid-386.kJ/molCcbLandrieu, Baylocq, et al., 1929ALS
Quantity Value Units Method Reference Comment
Δcsolid-3228. ± 4.kJ/molAVGN/AAverage of 17 out of 18 values; Individual data points
Quantity Value Units Method Reference Comment
solid,1 bar165.71J/mol*KN/AKaji, Tochigi, et al., 1993DH
solid,1 bar167.73J/mol*KN/AArvidsson, Falk, et al., 1976DH
solid,1 bar167.59J/mol*KN/AFurukawa, McCoskey, et al., 1951DH
solid,1 bar167.82J/mol*KN/ADavies and Staveley, 1957DH
solid,1 bar170.7J/mol*KN/AParks, Huffman, et al., 1933Extrapolation below 90 K, 59.25 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
259.413.Pacor, 1967DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
147.78300.Kaji, Tochigi, et al., 1993T = 19 to 312 K. Unsmoothed experimental datum.; DH
147.03298.902Sorai, Kaji, et al., 1992T = 15 to 305 K. Unsmoothed experimental datum.; DH
146.23296.29Moriya, Matsuo, et al., 1982T = 13 to 355 K. NBS SRM 29.; DH
146.65298.15Shakirov and Lyubarskii, 1980T = 20 to 300 K.; DH
146.79298.15Arvidsson, Falk, et al., 1976T = 6 to 341 K.; DH
147.07299.62Tatsumi, Matsuo, et al., 1975T = 12 to 304 K.; DH
149.301.Mosselman, Mourik, et al., 1974One temperature, T = 5 K. Value 5 J/mol*K.; DH
146.80298.15Konicek, Suurkuusk, et al., 1971DH
167.40298.15Justice, 1969As check on system. Only value at 298 K given.; DH
147.14299.99Suga and Seki, 1965T = 13 to 300 K. Value is unsmoothed experimental datum.; DH
130.340.David, 1964T = 298 to 373 K. Mean value. T = uncertain.; DH
146.31298.15Kolesov, Seregin, et al., 1962T = 22 to 310 K.; DH
147.02298.15Davies and Staveley, 1957T = 20 to 298 K.; DH
149.79298.15Popov and Kolesov, 1956T = 80 to 300 K.; DH
146.81298.15Ginnings and Furukawa, 1953T = 14 to 410 K.; DH
146.81298.15Furukawa, McCoskey, et al., 1951T = 13 to 410 K.; DH
160.2323.Satoh and Sogabe, 1939T = 0 to 100 C. Mean value.; DH
145.10295.1Parks, Huffman, et al., 1933T = 93 to 295 K. Value is unsmoothed experimental datum.; DH
155.2298.Andrews, Lynn, et al., 1926T = 22 to 200 C.; DH

Phase change data

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

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil522.2KN/AWeast and Grasselli, 1989BS
Tboil522.KN/ABuckingham and Donaghy, 1982BS
Tboil523.18KN/ABurriel, 1931Uncertainty assigned by TRC = 0.2 K; TRC
Tboil523.59KN/ABurriel, 1931Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tfus395.2 ± 0.7KAVGN/AAverage of 18 out of 20 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple395.52KN/AMarsh, 1987Uncertainty assigned by TRC = 0.005 K; recommended as calibration standard; TRC
Ttriple395.520KN/AAndon and Connett, 1980Uncertainty assigned by TRC = 0.01 K; TRC
Ttriple395.52KN/AGinnings and Furukawa, 1953, 2Uncertainty assigned by TRC = 0.01 K; TRC
Ttriple395.52KN/AFurukawa, McCoskey, et al., 1951, 2Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Δvap78.9kJ/molCGCChickos, Hosseini, et al., 1995Based on data from 353. to 393. K.; AC
Quantity Value Units Method Reference Comment
Δsub90. ± 4.kJ/molAVGN/AAverage of 13 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
406.20.013Weast and Grasselli, 1989BS
406.0.013Buckingham and Donaghy, 1982BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
87.450335.N/ATorres-Gomez, Barreiro-Rodriguez, et al., 1988DH
63.3 ± 0.6401. to 416.N/APena, Ribet, et al., 2003AC
66.3420.AStephenson and Malanowski, 1987Based on data from 405. to 523. K.; AC
67.8368. to 428.GSMatsubara and Kuwamoto, 1985AC
65.4428.ICramer, 1943AC
67.7416.MM,AKlosky, Woo, et al., 1927Based on data from 401. to 520. K.; AC

Entropy of vaporization

ΔvapS (J/mol*K) Temperature (K) Reference Comment
261.0335.Torres-Gomez, Barreiro-Rodriguez, et al., 1988DH

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
369. to 522.44.478341771.357-127.484Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
89.230298.15N/ATorres-Gomez, Barreiro-Rodriguez, et al., 1988DH
90.9 ± 2.0340. to 410.TG-TSSelvakumar, Raghunathan, et al., 2009AC
90.0 ± 0.5307.MERibeiro da Silva, Monte, et al., 2006Based on data from 299. to 317. K.; AC
93. ± 4.294. to 331.MEGinkel, Kruif, et al., 2001AC
90.5 ± 0.3323. to 394.GSZielenkiewicz, Perlovich, et al., 1999AC
86.7313. to 343.TGAElder, 1997AC
88.7 ± 0.9311.MEDa Silva and Monte, 1990Based on data from 307. to 314. K.; AC
87.5 ± 0.3335.CTorres-Gomez, Barreiro-Rodriguez, et al., 1988AC
90.8 ± 0.6306.QRGlukhova, Arkhangelova, et al., 1985Based on data from 293. to 319. K.; AC
95.1 ± 1.8294.N/AKaisersberger, Hädrich, et al., 1985AC
87.8368. to 428.GSMatsubara and Kuwamoto, 1985AC
91. ± 2.293. to 313.MEColomina, Jimenez, et al., 1982AC
89.5 ± 0.05353.DMde Kruif and Blok, 1982Based on data from 316. to 391. K.; AC
89.1 ± 0.2320. to 370.CMurata, Sakiyama, et al., 1982AC
85. ± 2.369.SGSachinidis and Hill, 1980Based on data from 344. to 395. K.; AC
88.3 ± 2.9281. to 323.LENowak, Szczepaniak, et al., 1978AC
88.5 ± 1.6293. to 318.TEDeKruif, van Ginkel, et al., 1975AC
92.9 ± 0.2296.MEArshadi, 1974Based on data from 273. to 318. K.; AC
88.1 ± 0.2293. to 311.TCMde Kruif and Oonk, 1973AC
89.0 ± 0.4338. to 383.MEMalaspina, 1973AC
89.3 ± 0.4338. to 383.CMalaspina, 1973AC
90. ± 0.3293. to 308.MEColomina, Monzon, et al., 1972AC
86.6 ± 1.3290. to 315.ME,CWiedemann, 1972AC
89.1314.N/AAshcroft, 1971Based on data from 299. to 329. K.; AC
90.4 ± 0.8367.HSAMelia and Merrifield, 1970Based on data from 324. to 392. K.; AC
86.6 ± 1.7303.MEWiedemann and Waughna, 1970Based on data from 290. to 315. K. See also Zielenkiewicz, Perlovich, et al., 1999.; AC
88.9 ± 0.5363.GSMertl, 1968Based on data from 348. to 378. K.; AC
90.9299.MEDavies and Kybett, 1965Based on data from 291. to 307. K.; AC
84.2 ± 0.8318.TEWolf and Weghofer, 1938AC
84.1 ± 0.8318.VWolf and Weghofer, 1938, 2ALS
85.8383.THirsbrunner, 1934Based on data from 333. to 389. K.; AC
84.5 ± 0.5364.IKlosky, Woo, et al., 1927Based on data from 377. to 394. K.; AC

Entropy of sublimation

ΔsubS (J/mol*K) Temperature (K) Reference Comment
299.3298.15Torres-Gomez, Barreiro-Rodriguez, et al., 1988DH

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
18.006395.52N/AGinnings and Furukawa, 1953DH
18.000395.52N/AFurukawa, McCoskey, et al., 1951DH
16.99396.9DSCBrittain, 2009AC
17.3394.4DSCSharma, Kant, et al., 2003See also Sharma, Jamwal, et al., 2004.; AC
17.1395.4DSCRoy, Riga, et al., 2002AC
17.99395.5N/APitzer, Peiper, et al., 1984AC
16.230395.N/APacor, 1967DH
17.320395.0N/AAndrews, Lynn, et al., 1926DH
17.400395.N/ADavid, 1964Temperature not measured.; DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
45.52395.52Ginnings and Furukawa, 1953DH
45.51395.52Furukawa, McCoskey, et al., 1951DH
41.1395.Pacor, 1967DH
43.8395.0Andrews, Lynn, et al., 1926DH
44.395.David, 1964Temperature; DH

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
18.062395.527crystaline, IliquidAndon and Connett, 1980, 2DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
45.67395.527crystaline, IliquidAndon and Connett, 1980, 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, Condensed phase thermochemistry data, Phase change data, Ion clustering data, 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

benzoate anion + Hydrogen cation = Benzoic acid

By formula: C7H5O2- + H+ = C7H6O2

Quantity Value Units Method Reference Comment
Δr1423. ± 9.2kJ/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Δr1423. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase; Recalculated from data in paper; error in Table vs. ladder; B
Δr1423. ± 9.2kJ/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Quantity Value Units Method Reference Comment
Δr1393. ± 8.4kJ/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Δr1393. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; Recalculated from data in paper; error in Table vs. ladder; B
Δr1394. ± 8.4kJ/molIMRECaldwell, Renneboog, et al., 1989gas phase; B

Bromine anion + Benzoic acid = (Bromine anion • Benzoic acid)

By formula: Br- + C7H6O2 = (Br- • C7H6O2)

Quantity Value Units Method Reference Comment
Δr76.6 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 423 K, ΔSaff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr41. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 423 K, ΔSaff taken as that of PhNO2..Br-; B

Free energy of reaction

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

Water + Benzoyl chloride = Benzoic acid + Hydrogen chloride

By formula: H2O + C7H5ClO = C7H6O2 + HCl

Quantity Value Units Method Reference Comment
Δr-34.04 ± 0.21kJ/molCmMoselhy and Pritchard, 1975liquid phase; solvent: Diphenyl-ether; see Carson, Pritchard, et al., 1950 and Davies, Dunning, et al., 1972; ALS
Δr-101.9kJ/molCmCarson, Pritchard, et al., 1950liquid phase; Heat of hydrolysis; ALS

Benzaldehyde + perbenzoic acid = 2Benzoic acid

By formula: C7H6O + C7H6O3 = 2C7H6O2

Quantity Value Units Method Reference Comment
Δr-316. ± 13.kJ/molCmBriner and Chastonay, 1954liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -317. ± 13. kJ/mol; ALS

Benzoyl bromide + Water = Hydrogen bromide + Benzoic acid

By formula: C7H5BrO + H2O = HBr + C7H6O2

Quantity Value Units Method Reference Comment
Δr-113.1kJ/molCmCarson, Pritchard, et al., 1950liquid phase; Heat of hydrolysis; ALS

Benzoyl iodide + Water = Hydrogen iodide + Benzoic acid

By formula: C7H5IO + H2O = HI + C7H6O2

Quantity Value Units Method Reference Comment
Δr-102.4kJ/molCmCarson, Pritchard, et al., 1950liquid phase; Heat of hydrolysis; ALS

Water + Benzoic acid, methyl ester = Benzoic acid + Methyl Alcohol

By formula: H2O + C8H8O2 = C7H6O2 + CH4O

Quantity Value Units Method Reference Comment
Δr-73.0 ± 1.9kJ/molEqkGuthrie and Cullimore, 1980liquid phase; ALS

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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 + Benzoic acid = (Bromine anion • Benzoic acid)

By formula: Br- + C7H6O2 = (Br- • C7H6O2)

Quantity Value Units Method Reference Comment
Δr76.6 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 423 K, ΔSaff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr41. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 423 K, ΔSaff taken as that of PhNO2..Br-; B

Free energy of reaction

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

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, 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, custom temperature program

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Column type Active phase I Reference Comment
CapillaryHP-5MS1193.Alissandrakis E., Tarantilis P.A., et al., 200730. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 3C/min => 160C => 10C/min => 200C
CapillaryBP-11159.Khan, Verma, et al., 200630. m/0.32 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C (5min) => 3C/min => 245C(5min)

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

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Column type Active phase I Reference Comment
CapillaryDB-11160.Osorio, Alarcon, et al., 200625. m/0.2 mm/0.33 μm, 4. K/min; Tstart: 50. C; Tend: 300. C
CapillaryDB-51170.Alves, Pinto, et al., 200530. m/0.25 mm/0.25 μm, H2, 5. K/min, 270. C @ 20. min; Tstart: 35. C
CapillaryHP-5MS1159.Lalel, Singh, et al., 200360. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min, 310. C @ 20. min
CapillaryHP-5MS1178.Papandreou, Magiatis, et al., 200230. m/0.25 mm/0.25 μm, 60. C @ 5. min, 3. K/min; Tend: 280. C
CapillaryOV-11174.Valero, Sanz, et al., 199920. m/0.32 mm/0.3 μm, He, 45. C @ 5. min, 10. K/min, 220. C @ 10. min
CapillaryDB-51191.Sakho, Chassagne, et al., 1997H2, 60. C @ 3. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 220. C
CapillaryDB-11191.Adedeji, Hartman, et al., 199260. m/0.32 mm/0.25 μm, He, 40. C @ 3. min, 2. K/min, 280. C @ 10. min
CapillarySE-541188.8Shapi and Hesso, 199025. m/0.32 mm/0.15 μm, He, 40. C @ 1. min, 5. K/min, 280. C @ 15. min
PackedSE-301168.Peng, Ding, et al., 1988He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m

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

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Column type Active phase I Reference Comment
CapillaryBPX-51185.Elmore, Erbahadir, et al., 199750. m/0.32 mm/0.5 μm, He; Program: 0C (5min) => 40C/min => 40C (2min) => 10C/min => 280C

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

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Column type Active phase I Reference Comment
CapillaryDB-Wax2433.Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 200730. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 4. K/min, 250. C @ 15. min
CapillaryDB-Wax2412.Osorio, Alarcon, et al., 200630. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min
CapillarySupelcowax-102387.Chung, Fung, et al., 200560. m/0.25 mm/0.25 μm, 35. C @ 5. min, 6. K/min, 195. C @ 60. min
CapillaryStabilwax2446.Fang and Qian, 200530. m/0.32 mm/1. μm, N2, 40. C @ 2. min, 4. K/min, 230. C @ 10. min
CapillaryCarbowax 20M2380.Verzera, Campisi, et al., 200560. m/0.25 mm/0.25 μm, He, 45. C @ 0.17 min, 2. K/min; Tend: 250. C
CapillarySupelcowax-102444.Moreira, Trugo, et al., 200230. m/0.25 mm/0.25 μm, He, 3. K/min, 230. C @ 30. min; Tstart: 50. C
CapillaryCP-Wax 52CB2380.Verzera, Campisi, et al., 200160. m/0.25 mm/0.25 μm, He, 45. C @ 0.17 min, 2. K/min; Tend: 250. C
CapillaryDB-Wax2420.Moio, Piombino, et al., 200030. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-Wax2423.Moio, Piombino, et al., 200030. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-Wax2405.Chassagne, Boulanger, et al., 199930. m/0.25 mm/0.25 μm, H2, 60. C @ 3. min, 2. K/min; Tend: 220. C
CapillaryDB-Wax2420.Moio and Addeo, 199830. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-Wax2423.Moio and Addeo, 199830. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-Wax2420.Ott, Fay, et al., 199730. m/0.25 mm/0.25 μm, He, 20. C @ 5. min, 4. K/min, 200. C @ 10. min
CapillaryDB-Wax2436.Ott, Fay, et al., 199730. m/0.25 mm/0.25 μm, He, 20. C @ 5. min, 4. K/min, 200. C @ 10. min
CapillaryDB-Wax2387.Humpf and Schreier, 199130. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 20. min
CapillaryDB-Wax2420.Krammer, Winterhalter, et al., 199130. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillaryCP-Wax 58CB2400.Pabst, Barron, et al., 199130. m/0.25 mm/0.22 μm, He, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryDB-Wax2391.Suárez, Duque, et al., 199130. m/0.259 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillaryDB-Wax2408.Suárez, Duque, et al., 199130. m/0.259 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillaryDB-Wax2392.Suárez, Duque, et al., 199130. m/0.259 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillaryDB-Wax2408.Suárez, Duque, et al., 199130. m/0.259 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillaryCarbowax 20M2401.Schwab, Mahr, et al., 198930. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 4. K/min; Tend: 240. C

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

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Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB2433.Romeo, Ziino, et al., 200760. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C
CapillaryDB-FFAP2428.Huynh-Ba, Matthey-Doret, et al., 200330. m/0.32 mm/0.25 μm; Program: 35C(2min) => 6C/min => 180C => 10C/min => 240C (10min)
CapillaryDB-Wax2399.Cantergiani, Brevard, et al., 200130. m/0.25 mm/0.25 μm; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min)

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5 MS1162.Jerkovic, Hegic, et al., 201030. m/0.25 mm/0.25 μm, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min
CapillaryHP-5 MS1162.Jerkovic and Marijanovic, 201030. m/0.25 mm/0.25 μm, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min
CapillaryHP-5 MS1162.Jerkovic, Tuberso, et al., 201030. m/0.25 mm/0.25 μm, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min
CapillaryHP-5 MS1163.Radulovic, Blagojevic, et al., 200930. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryHP-11131.Castel, Fernandez, et al., 200650. m/0.2 mm/0.33 μm, He, 60. C @ 4. min, 2. K/min, 250. C @ 30. min
CapillaryHP-11164.Castel, Fernandez, et al., 200650. m/0.2 mm/0.33 μm, He, 60. C @ 4. min, 2. K/min, 250. C @ 30. min
CapillaryHP-11131.Castel, Fernandez, et al., 200650. m/0.2 mm/0.33 μm, He, 60. C @ 4. min, 2. K/min, 250. C @ 30. min
CapillaryHP-11200.Castel, Fernandez, et al., 2006, 250. m/0.2 mm/0.5 μm, He, 2. K/min, 250. C @ 120. min; Tstart: 60. C
CapillaryHP-11148.Castel, Fernandez, et al., 2006, 250. m/0.2 mm/0.33 μm, He, 60. C @ 4. min, 2. K/min, 250. C @ 30. min
CapillaryPolymethylsiloxane, (PMS-20000)1214.Dohou, Yamni, et al., 2005He, 50. C @ 3. min, 3. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tend: 250. C
CapillaryMDN-51172.van Loon, Linssen, et al., 200560. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min
CapillaryDB-11161.Nyegue, Belinga-Ndoye, et al., 200530. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryHP-11138.Fernandez, Lizzani-Cuvelier, et al., 200350. m/0.2 mm/0.5 μm, He, 2. K/min, 220. C @ 45. min; Tstart: 60. C
CapillaryDB-11197.Rapior, Konska, et al., 200025. m/0.25 mm/0.13 μm, He, 60. C @ 2. min, 4. K/min; Tend: 200. C
CapillaryOptima 11210.Fons, Rapior, et al., 199825. m/0.20 mm/0.25 μm, Helium, 3. K/min; Tstart: 50. C; Tend: 200. C
CapillaryHP-11170.Ong, Acree, et al., 19984. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C
CapillaryDB-11143.Buttery, Stern, et al., 1994He, 30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.32 mm
CapillaryUltra-11149.Okumura, 199125. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySLB-5 MS1150.Mondello, 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillarySLB-5 MS1167.Mondello, 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary 1164.Brandi, Bar, et al., 2011Program: not specified
CapillaryCP-Sil 8 CB1184.de Freitas, Garruti, et al., 201130. m/0.25 mm/0.25 μm, Hydrogen; Program: 30 0C 3 0C/min -> 150 0C 20 0C/min -> 220 0C
CapillaryZB-51164.de Simon, Estruelas, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min)
CapillaryCB-11165.Kannaste, Vongvanich, et al., 200830. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 4 0C/min -> 180 0C 20 0C/min -> 220 0C (1 min)
CapillaryCB-11160.Kannaste, Vongvanich, et al., 200830. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-51159.Zhao, Li, et al., 200830. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)
CapillaryHP-51162.Zhao, Li, et al., 200830. m/0.25 mm/0.25 μm; Program: not specified
CapillaryHP-5MS1163.Chokeprasert P., Charles A.L., et al., 200730. m/0.25 mm/0.25 μm, He; Program: 40C => 3C/min => 100C => 5C/min => 230C(2min)
CapillaryDB-51199.Pellicer, 200730. m/0.32 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-5MS1197.Alissandrakis, Kibaris, et al., 200530. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min)
CapillarySE-301152.Vinogradov, 2004Program: not specified
CapillarySPB-51156.Begnaud, Pérès, et al., 200360. m/0.32 mm/1. μm; Program: not specified
CapillaryBPX-51171.Machiels, van Ruth, et al., 200360. m/0.32 mm/1. μm, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)
CapillaryDB-51196.Rapior, Breheret, et al., 200230. m/0.20 mm/1.0 μm; Program: not specified
CapillaryDB-51210.Rapior, Breheret, et al., 200230. m/0.20 mm/1.0 μm; Program: not specified
CapillaryCP Sil 5 CB1155.Guyot, Scheirman, et al., 1999He; Column length: 50. m; Column diameter: 0.32 mm; Program: 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C
CapillaryCP Sil 5 CB1135.Guyot, Bouseta, et al., 199850. m/0.32 mm/1.2 μm, He; Program: 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C
CapillaryHP-11167.Ong, Acree, et al., 1998Column length: 25. m; Column diameter: 0.32 mm; Program: not specified
CapillaryHP-51180.Timón, Ventanas, et al., 199850. m/0.32 mm/0.52 μm, He; Program: 35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min)
CapillaryDB-11163.Hathcock and Bertsch, 1993100. m/0.25 mm/0.5 μm; Program: not specified
OtherMethyl Silicone1180.Ardrey and Moffat, 1981Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCP Wax 52 CB2438.Birtic, Ginies, et al., 200930. m/0.32 mm/0.50 μm, Helium, 40. C @ 2. min, 4. K/min, 230. C @ 15. min
CapillaryHP-Innowax2448.Soria, Sanz, et al., 200850. m/0.20 mm/0.20 μm, Helium, 45. C @ 2. min, 4. K/min, 190. C @ 50. min
CapillaryRTX-Wax2417.Prososki, Etzel, et al., 200730. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min
CapillaryDB-Wax2449.Fan and Qian, 200630. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 230. C @ 15. min
CapillaryDB-Wax Etr2451.Ibarz, Ferreira, et al., 200660. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 230. C @ 100. min
CapillaryCarbowax 20M2425.de la Fuente, Martinez-Castro, et al., 200550. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 190. C @ 30. min
CapillaryTC-FFAP2449.Kurose and Yatagai, 200560. m/0.25 mm/0.4 μm, He, 3. K/min, 220. C @ 30. min; Tstart: 60. C
CapillaryDB-Wax2457.López, Ezpeleta, et al., 200460. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 220. C
CapillaryDB-Wax2408.Osorio, Duque, et al., 200230. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min
CapillaryDB-Wax2416.Osorio, Duque, et al., 200230. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min
CapillaryDB-Wax2410.Wei, Mura, et al., 200160. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. C
CapillaryDB-Wax2405.Morales, Duque, et al., 200025. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 200. C @ 10. min
CapillaryDB-Wax2409.Morales, Duque, et al., 200025. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 200. C @ 10. min
CapillaryDB-Wax2390.Parada, Duque, et al., 200030. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
CapillaryDB-Wax2407.Parada, Duque, et al., 200030. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
CapillaryDB-Wax2390.Parada and Duque, 199830. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
CapillaryDB-Wax2410.Parada and Duque, 199830. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
CapillaryPEG-20M2385.Awano, Honda, et al., 1997He, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 210. C
CapillaryDB-Wax2410.Morales, Albarracín, et al., 199630. m/0.25 mm/0.25 μm, He, 20. C @ 4. min, 4. K/min, 200. C @ 10. min
CapillaryDB-Wax2409.Morales, Albarracín, et al., 199630. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 200. C @ 10. min
CapillaryDB-Wax2400.Andersen J.F., Mikolajczak K.L., et al., 1987Helium, 40. C @ 1. min, 6. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tend: 200. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2432.Kaprasob, Laohankunjit, et al., 2011Program: 55 0C (2 min) 5 0C/min -> 180 0C (5 min) 8 0C/min -> 230 0C (10 min)
CapillaryStabilwax2455.Chinnici, Guerrero, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 35 0C 3 0C/min -> 100 0C 5 0C/min -> 240 0C (10 min)
CapillarySupelcowax-102389.de Simon, Estruelas, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min)
CapillaryDB-Wax2404.Tao, Wenlai, et al., 200830. m/0.32 mm/0.25 μm, Helium; Program: 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C
CapillaryDB-Wax2428.Gonzalez-Rios, Suarez-Quiroz, et al., 200730. m/0.25 mm/0.25 μm, Hydrogen; Program: 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C
CapillaryDB-Wax2399.Gonzalez-Rios, Suarez-Quiroz, et al., 200730. m/0.25 mm/0.25 μm, Hydrogen; Program: not specified
CapillaryDB-Wax2435.Tian, Zhang, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min)
CapillaryDB-Wax2432.Krings, Zelena, et al., 200630. m/0.32 mm/0.25 μm, He; Program: 45C(5min) => 5C/min => 150C => 10C/min => 240C (10min)
CapillaryCarbowax 20M2380.Editorial paper, 2005Program: not specified
CapillaryCarbowax 20M2426.Vinogradov, 2004Program: not specified
CapillaryDB-Wax2417.Mayorga, Knapp, et al., 200130. m/0.25 mm/0.25 μm; Program: 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min)
CapillaryDB-Wax2419.Mayorga, Knapp, et al., 200130. m/0.25 mm/0.25 μm; Program: 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5199.20Pedersen, Durant, et al., 200530. m/0.25 mm/0.25 μm, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min
CapillaryDB-5196.5Donnelly, Abdel-Hamid, et al., 199330. m/0.32 mm/0.25 μm, He, 40. C @ 3. min, 8. K/min, 285. C @ 29.5 min

Lee's RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5195.8Fuentes, Font, et al., 2007Column length: 60. m; Program: not specified
CapillaryDB-5MS193.9Aracil, Font, et al., 2005Column length: 60. m; Column diameter: 0.25 mm; Program: not specified
CapillaryPolydimethyl siloxanes196.52Eckel and Kind, 2003Program: not specified
CapillaryMethyl Silicone200.65Eckel, Ross, et al., 1993Program: not specified
CapillaryMethyl Silicone202.69Eckel, Ross, et al., 1993Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, Gas Chromatography, Notes

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

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Notes

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