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Benzoic acid

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Gas phase thermochemistry 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 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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, 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 - H.Y. Afeefy, J.F. Liebman, and S.E. Stein
DH - E.S. Domalski and E.D. Hearing

Quantity Value Units Method Reference Comment
Deltacliquid-3227.00 ± 0.20kJ/molCcbGundry, Harrop, et al., 1969Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -3225.73 kJ/mol; Corresponding «DELTA»fliquid = -385.06 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
Deltafsolid-384.8 ± 0.50kJ/molCcbCorral, 1960ALS
Deltafsolid-386.kJ/molCcbLandrieu, Baylocq, et al., 1929ALS
Quantity Value Units Method Reference Comment
Deltacsolid-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 - R.L. Brown and S.E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, M. Frenkel director
AC - W.E. Acree, Jr., J.S. Chickos
DH - E.S. Domalski and E.D. Hearing
ALS - H.Y. Afeefy, J.F. Liebman, and S.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
Deltavap78.9kJ/molCGCChickos, Hosseini, et al., 1995Based on data from 353. - 393. K.; AC
Quantity Value Units Method Reference Comment
Deltasub90. ± 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

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

Entropy of vaporization

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

Enthalpy of sublimation

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

Entropy of sublimation

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

Enthalpy of fusion

DeltafusH (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

DeltafusS (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

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

Entropy of phase transition

DeltaStrs (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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, 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 - J.E. Bartmess
M - M. M. Meot-Ner (Mautner) and S. G. Lias
ALS - H.Y. Afeefy, J.F. Liebman, and S.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
Deltar1423. ± 9.2kJ/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Deltar1423. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase; Recalculated from data in paper; error in Table vs. ladder; B
Deltar1423. ± 9.2kJ/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Quantity Value Units Method Reference Comment
Deltar1393. ± 8.4kJ/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Deltar1393. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; Recalculated from data in paper; error in Table vs. ladder; B
Deltar1394. ± 8.4kJ/molIMRECaldwell, Renneboog, et al., 1989gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar76.6 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; «DELTA»Gaff measured at 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
Deltar84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar41. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; «DELTA»Gaff measured at 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B

Free energy of reaction

DeltarG° (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
Deltar-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
Deltar-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
Deltar-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
Deltar-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
Deltar-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
Deltar-73.0 ± 1.9kJ/molEqkGuthrie and Cullimore, 1980liquid phase; ALS

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, 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: R. 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
24000. QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
14000.6500.XN/A 

Gas phase ion energetics 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 evaluated as indicated in comments:
HL - E.P. Hunter and S.G. Lias

Data compiled as indicated in comments:
B - J.E. Bartmess
LBLHLM - S.G. Lias, J.E. Bartmess, J.F. Liebman, J.L. Holmes, R.D. Levin, and W.G. Mallard
LLK - S.G. Lias, R.D. Levin, and S.A. Kafafi
RDSH - H.M. Rosenstock, K. Draxl, B.W. Steiner, and J.T. Herron

Quantity Value Units Method Reference Comment
Proton affinity (review)821.1kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity790.1kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.3PEKlasinc, Kovac, et al., 1983LBLHLM
9.6PEMeeks, Wahlborg, et al., 1981LLK
9.8 ± 0.2EIBenoit, 1973LLK
9.75EIBenoit, 1973, 2LLK
9.73 ± 0.09EIFoffani, Pignataro, et al., 1964RDSH
9.47PEKlasinc, Kovac, et al., 1983Vertical value; LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H5+14.3 ± 0.07?EITajima, Azami, et al., 1977LLK
C6H5+15.1 ± 0.2CO+OHEIBenoit, 1973LLK
C6H5+15.08CO+OHEIBenoit, 1973, 2LLK
C7H5O+11.5 ± 0.07OHEITajima, Azami, et al., 1977LLK
C7H5O+12.1 ± 0.2OHEIBenoit, 1973LLK
C7H5O+12.11OHEIBenoit, 1973, 2LLK

De-protonation reactions

benzoate anion + Hydrogen cation = Benzoic acid

By formula: C7H5O2- + H+ = C7H6O2

Quantity Value Units Method Reference Comment
Deltar1423. ± 9.2kJ/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Deltar1423. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase; Recalculated from data in paper; error in Table vs. ladder; B
Deltar1423. ± 9.2kJ/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Quantity Value Units Method Reference Comment
Deltar1393. ± 8.4kJ/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Deltar1393. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; Recalculated from data in paper; error in Table vs. ladder; B
Deltar1394. ± 8.4kJ/molIMRECaldwell, Renneboog, et al., 1989gas phase; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, 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 - J.E. Bartmess
M - M. M. Meot-Ner (Mautner) and S. 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 bullet Benzoic acid)

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

Quantity Value Units Method Reference Comment
Deltar76.6 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; «DELTA»Gaff measured at 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
Deltar84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar41. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; «DELTA»Gaff measured at 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B

Free energy of reaction

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

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

Data compiled by: B.E. Bernacki, T.A. Blake, C.S. Brauer, A.B. Ertel, T.J. Johnson, B.M. Kunkel, T.L. Myers, R.L. Richardson, Y.-F. Su, and R.G. Tonkyn

Data compiled by: NIST Mass Spec Data Center, S.E. Stein, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, UV/Visible spectrum, Gas Chromatography, NIST Free Links, 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 Spec Data Center, S.E. Stein, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1998.
NIST MS number 290514

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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: V. Talrose, E.B. Stern, A.A. Goncharova, N.A. Messineva, N.V. Trusova, M.V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Newman and Deno, 1951
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 221
Instrument Beckman spectrophotometer
Melting point 122.4
Boiling point 249.2

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), UV/Visible spectrum, NIST Free Links, 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 Spec Data Center, S.E. Stein, director

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

View large format table.

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

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-11160.Osorio, Alarcon, et al., 200625. m/0.2 mm/0.33 «mu»m, 4. K/min; Tstart: 50. C; Tend: 300. C
CapillaryDB-51170.Alves, Pinto, et al., 200530. m/0.25 mm/0.25 «mu»m, H2, 5. K/min, 270. C @ 20. min; Tstart: 35. C
CapillaryHP-5MS1159.Lalel, Singh, et al., 200360. m/0.25 mm/0.25 «mu»m, 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 «mu»m, 60. C @ 5. min, 3. K/min; Tend: 280. C
CapillaryOV-11174.Valero, Sanz, et al., 199920. m/0.32 mm/0.3 «mu»m, 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 «mu»m, He, 40. C @ 3. min, 2. K/min, 280. C @ 10. min
CapillarySE-541188.8Shapi and Hesso, 199025. m/0.32 mm/0.15 «mu»m, 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

View large format table.

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

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

View large format table.

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 «mu»m, 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 «mu»m, 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 «mu»m, 35. C @ 5. min, 6. K/min, 195. C @ 60. min
CapillaryStabilwax2446.Fang and Qian, 200530. m/0.32 mm/1. «mu»m, 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 «mu»m, 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 «mu»m, 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 «mu»m, He, 45. C @ 0.17 min, 2. K/min; Tend: 250. C
CapillaryDB-Wax2420.Moio, Piombino, et al., 200030. m/0.32 mm/1. «mu»m, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-Wax2423.Moio, Piombino, et al., 200030. m/0.32 mm/1. «mu»m, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-Wax2405.Chassagne, Boulanger, et al., 199930. m/0.25 mm/0.25 «mu»m, H2, 60. C @ 3. min, 2. K/min; Tend: 220. C
CapillaryDB-Wax2420.Moio and Addeo, 199830. m/0.32 mm/1. «mu»m, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-Wax2423.Moio and Addeo, 199830. m/0.32 mm/1. «mu»m, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-Wax2420.Ott, Fay, et al., 199730. m/0.25 mm/0.25 «mu»m, 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 «mu»m, He, 20. C @ 5. min, 4. K/min, 200. C @ 10. min
CapillaryDB-Wax2387.Humpf and Schreier, 199130. m/0.25 mm/0.25 «mu»m, 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 «mu»m, 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 «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryDB-Wax2391.Suárez, Duque, et al., 199130. m/0.259 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillaryDB-Wax2408.Suárez, Duque, et al., 199130. m/0.259 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillaryDB-Wax2392.Suárez, Duque, et al., 199130. m/0.259 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillaryDB-Wax2408.Suárez, Duque, et al., 199130. m/0.259 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillaryCarbowax 20M2401.Schwab, Mahr, et al., 198930. m/0.25 mm/0.25 «mu»m, He, 40. C @ 3. min, 4. K/min; Tend: 240. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB2433.Romeo, Ziino, et al., 200760. m/0.25 mm/0.25 «mu»m, 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 «mu»m; Program: 35C(2min) => 6C/min => 180C => 10C/min => 240C (10min)
CapillaryDB-Wax2399.Cantergiani, Brevard, et al., 200130. m/0.25 mm/0.25 «mu»m; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min)

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1162.Jerkovic, Hegic, et al., 201030. m/0.25 mm/0.25 «mu»m, 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 «mu»m, 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 «mu»m, 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 «mu»m, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryHP-11131.Castel, Fernandez, et al., 200650. m/0.2 mm/0.33 «mu»m, 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 «mu»m, 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 «mu»m, 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 «mu»m, 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 «mu»m, 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 «mu»m, 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 «mu»m, N2, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryHP-11138.Fernandez, Lizzani-Cuvelier, et al., 200350. m/0.2 mm/0.5 «mu»m, He, 2. K/min, 220. C @ 45. min; Tstart: 60. C
CapillaryDB-11197.Rapior, Konska, et al., 200025. m/0.25 mm/0.13 «mu»m, He, 60. C @ 2. min, 4. K/min; Tend: 200. C
CapillaryOptima 11210.Fons, Rapior, et al., 199825. m/0.20 mm/0.25 «mu»m, 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 «mu»m, 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 «mu»m, Helium; Program: not specified
CapillarySLB-5 MS1167.Mondello, 201230. m/0.25 mm/0.25 «mu»m, 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 «mu»m, 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 «mu»m, 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 «mu»m, 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 «mu»m, Helium; Program: not specified
CapillaryHP-51159.Zhao, Li, et al., 200830. m/0.25 mm/0.25 «mu»m; 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 «mu»m; Program: not specified
CapillaryHP-5MS1163.Chokeprasert P., Charles A.L., et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 40C => 3C/min => 100C => 5C/min => 230C(2min)
CapillaryDB-51199.Pellicer, 200730. m/0.32 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryHP-5MS1197.Alissandrakis, Kibaris, et al., 200530. m/0.25 mm/0.25 «mu»m, 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. «mu»m; Program: not specified
CapillaryBPX-51171.Machiels, van Ruth, et al., 200360. m/0.32 mm/1. «mu»m, 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 «mu»m; Program: not specified
CapillaryDB-51210.Rapior, Breheret, et al., 200230. m/0.20 mm/1.0 «mu»m; 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 «mu»m, 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 «mu»m, 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 «mu»m; 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 «mu»m, 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 «mu»m, 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 «mu»m, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min
CapillaryDB-Wax2449.Fan and Qian, 200630. m/0.32 mm/0.25 «mu»m, 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 «mu»m, 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 «mu»m, Helium, 40. C @ 2. min, 4. K/min, 190. C @ 30. min
CapillaryTC-FFAP2449.Kurose and Yatagai, 200560. m/0.25 mm/0.4 «mu»m, He, 3. K/min, 220. C @ 30. min; Tstart: 60. C
CapillaryDB-Wax2457.López, Ezpeleta, et al., 200460. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 3. K/min; Tend: 220. C
CapillaryDB-Wax2408.Osorio, Duque, et al., 200230. m/0.25 mm/0.25 «mu»m, 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 «mu»m, 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 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 200. C
CapillaryDB-Wax2405.Morales, Duque, et al., 200025. m/0.25 mm/0.25 «mu»m, 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 «mu»m, 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 «mu»m, 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 «mu»m, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
CapillaryDB-Wax2390.Parada and Duque, 199830. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
CapillaryDB-Wax2410.Parada and Duque, 199830. m/0.25 mm/0.25 «mu»m, 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 «mu»m, 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 «mu»m, 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 «mu»m, 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 «mu»m, 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 «mu»m, 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 «mu»m, 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 «mu»m, Hydrogen; Program: not specified
CapillaryDB-Wax2435.Tian, Zhang, et al., 200730. m/0.25 mm/0.25 «mu»m, 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 «mu»m, 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 «mu»m; 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 «mu»m; 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 «mu»m, 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 «mu»m, 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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, Notes

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

Stull D.R., 1969
Stull D.R., Jr., The Chemical Thermodynamics of Organic Compounds. Wiley, New York, 1969. [all data]

Ali N., 1983
Ali N., Thermodynamic functions of the benzoic acid, phthalic acid and salicylic acid, Indian J. Phys., 1983, B57, 413-419. [all data]

Gundry, Harrop, et al., 1969
Gundry, H.A.; Harrop, D.; Head, A.J.; Lewis, G.B., Thermodynamic properties of organic oxygen compounds. 21. Enthalpies of combustion of benzoic acid, pentan-1-ol, octan-1-ol, and hexadecan-1-ol, J. Chem. Thermodyn., 1969, 1, 321-332. [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]

Corral, 1960
Corral, L.B., Investigaciones termoquimicas sobre los acidos toluicos y dimetilbenzoicos, Rev. R. Acad. Cienc., 1960, 54, 365-403. [all data]

Landrieu, Baylocq, et al., 1929
Landrieu, P.; Baylocq, F.; Johnson, J.R., Etude thermochimique dans la serie furanique, Bull. Soc. Chim. France, 1929, 45, 36-49. [all data]

Kaji, Tochigi, et al., 1993
Kaji, K.; Tochigi, K.; Misawa, Y.; Suzuki, T., An adiabatic calorimeter for samples of mass less than 0.1 g and heat capacity measurements on benzoic acid at temperatures from 19 K to 312 K, J. Chem. Thermodynam., 1993, 25(6), 699-709. [all data]

Arvidsson, Falk, et al., 1976
Arvidsson, K.; Falk, B.; Sunner, S., A small sample low temperature adiabatic heat capacity calorimeter with an automatic data acquisition system, Chem. Scr., 1976, 10, 193-200. [all data]

Furukawa, McCoskey, et al., 1951
Furukawa, G.T.; McCoskey, R.E.; King, G.J., Calorimetric properties of benzoic acid from 0 to 410K, J. Res., 1951, NBS 47, 256-261. [all data]

Davies and Staveley, 1957
Davies, T.; Staveley, L.A.K., The behaviour of the ammonium ion in the ammonium salt of tetraphenylboron by comparison of the heat capacities of the ammonium, rubidium, and potassium salts, Trans. Faraday Soc., 1957, 53, 19-30. [all data]

Parks, Huffman, et al., 1933
Parks, G.S.; Huffman, H.M.; Barmore, M., Thermal data on organic compounds. XI. The heat capacities, entropies and free energies of ten compounds containing oxygen or nitrogen. J. Am. Chem. Soc., 1933, 55, 2733-2740. [all data]

Pacor, 1967
Pacor, P., Applicability of the DuPont 900 DTA apparatus in quantitative differential thermal analysis, Anal. Chim. Acta, 1967, 37, 200-208. [all data]

Sorai, Kaji, et al., 1992
Sorai, M.; Kaji, K.; Kaneko, Y., An automated adiabatic calorimeter for the temperature range 13 K to 530 K The heat capacities for benzoic acid from 15 K to 305 K and of synthetic sapphire from 60 K to 505 K, J. Chem. Thermodynam., 1992, 24(2), 167-180. [all data]

Moriya, Matsuo, et al., 1982
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Notes

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