Biphenyl

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

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

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

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas43.1 ± 0.7kcal/molAVGN/AAverage of 6 values; Individual data points

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
12.0350.Dorofeeva O.V., 1997None of the statistically calculated values of S(T) known from literature [ Trevissoi C., 1955, Katon J.E., 1959, Aleman H., 1973, Thermodynamics Research Center, 1997] is in full accord with experimental data (see also discussion in [ Chirico R.D., 1989]). Recommended values agree with experimental values within their uncertainties except for temperature range 340-460 K where discrepancies amount to 0.4-0.6 J/mol*K.; GT
15.49100.
20.14150.
26.030200.
36.202273.15
39.84 ± 0.24298.15
40.105300.
53.903400.
65.397500.
74.517600.
81.773700.
87.655800.
92.512900.
96.5731000.
100.001100.
102.931200.
105.431300.
107.571400.
109.431500.

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, 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:
DH - Eugene S. Domalski and Elizabeth D. Hearing
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfsolid23.5 ± 0.60kcal/molReviewRoux, Temprado, et al., 2008There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB
Δfsolid23.12 ± 0.62kcal/molCcbMontgomery, Rossini, et al., 1978ALS
Δfsolid24.02 ± 0.36kcal/molCcbColeman and Pilcher, 1966ALS
Δfsolid23.14 ± 0.96kcal/molCcbMackle and O'Hare, 1963ALS
Δfsolid23.24 ± 0.39kcal/molCcbParks and Vaughan, 1951Reanalyzed by Cox and Pilcher, 1970, Original value = 23.10 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Δcsolid-1494. ± 5.kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
solid,1 bar50.043cal/mol*KN/AChirico, Knipmeyer, et al., 1989DH
solid,1 bar49.952cal/mol*KN/ASaito, Atake, et al., 1988DH
solid,1 bar49.21cal/mol*KN/AHuffman, Parks, et al., 1930Extrapolation below 90 K, 65.4 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
68.19370.Walker, Brooks, et al., 1958T = 200 to 600°F.; DH
71.99422.McEwen, March 31 1956T = 300 to 600°C.; DH
71.70370.Kurbatov, 1950T = 98 to 255°C. Mp 70.8°C.; DH
62.91350.8Forrest, Brugmann, et al., 1931T = 350 to 620 K. Value is unsmoothed experimental datum.; DH
62.032298.Newton, Kaura, et al., 1931T = 100 to 300°C, equation only, in t°C. Cp(liq) = 0.388 + 0.00057t cal/g*K.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
47.416298.15Chirico, Knipmeyer, et al., 1989T = 5 to 700 K.; DH
47.364298.15Saito, Atake, et al., 1988T = 3 to 300 K.; DH
47.25298.15O'Rourke and Mraw, 1983T = 220 to 475 K. Cp = 0.7143 (T/K) - 15.3 (220 to 342.2 K) J/mol*K.; DH
45.4300.Wasicki, Radomska, et al., 1982T = 180 to 350 K. Data given graphically. Value estimated from graph.; DH
45.60298.15Ueberreiter and Orthmann, 1950T = 293 to 368 K. Equation only.; DH
47.30298.1Schmidt, 1941T = 20 to 200°C, equations only, in t°C. Cp(c) = 0.2745 + 0.001235t cal/g*K (20 to 69°C); Cp(liq) = 0.3917 + 0.0005206t cal/g*K (69 to 200°C).; DH
47.30303.Spaght, Thomas, et al., 1932T = 30 to 100°C.; DH
46.39294.4Huffman, Parks, et al., 1930T = 93 to 295 K. Value is unsmoothed experimental datum.; DH

Phase change data

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

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

Data compiled 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil527. ± 2.KAVGN/AAverage of 40 out of 42 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus343. ± 1.KAVGN/AAverage of 285 out of 294 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple342.090KN/AChirico, Knipmeyer, et al., 1989, 2Uncertainty assigned by TRC = 0.01 K; TRC
Ttriple341.8KN/AParks and Huffman, 1931Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tc780. ± 20.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Pc34. ± 6.atmAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.497l/molN/ATsonopoulos and Ambrose, 1995 
Quantity Value Units Method Reference Comment
ρc2.0 ± 0.1mol/lN/ATsonopoulos and Ambrose, 1995 
ρc2.01mol/lN/AEllard and Yanko, 1963Uncertainty assigned by TRC = 0.065 mol/l; TRC
ρc2.09mol/lN/AReiter, 1963Uncertainty assigned by TRC = 0.065 mol/l; TRC
ρc1.99mol/lN/AMandel and Ewbank, 1960Uncertainty assigned by TRC = 0.097 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap15. ± 3.kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δsub19.5 ± 0.7kcal/molAVGN/AAverage of 10 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
418.20.029Weast and Grasselli, 1989BS
418.0.029Buckingham and Donaghy, 1982BS
343. to 351.0.0003Buckingham and Donaghy, 1982BS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
12.2510.DSCBack, Grzyll, et al., 1996Based on data from 495. to 688. K.; AC
13.7400.EBChirico, Knipmeyer, et al., 1989Based on data from 350. to 578. K.; AC
14.4360.EBChirico, Knipmeyer, et al., 1989Based on data from 350. to 578. K.; AC
12.0500.EBChirico, Knipmeyer, et al., 1989Based on data from 350. to 578. K.; AC
14.2363.GSSakoguchi, Iwai, et al., 1989Based on data from 348. to 453. K.; AC
14.4363.N/ASasse, N'guimbi, et al., 1989Based on data from 333. to 393. K.; AC
13.7405.AStephenson and Malanowski, 1987Based on data from 390. to 563. K.; AC
13.1417.GSNasir, Hwang, et al., 1980Based on data from 396. to 437. K.; AC
11.5647.N/AGlaser and Rüland, 1957Based on data from 528. to 766. K.; AC
14.2357.N/ACunningham, 1930Based on data from 342. to 544. K. See also Boublik, Fried, et al., 1984.; AC

Antoine Equation Parameters

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
342.3 to 544.34.351141987.623-71.556Cunningham, 1930, 2Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
19.484298.15N/AChirico, Knipmeyer, et al., 1989DH
19.6383.GSNass, Lenoir, et al., 1995Based on data from 313. to 453. K.; AC
19.9311.EMSasse, N'guimbi, et al., 1989Based on data from 283. to 338. K.; AC
18.2 ± 0.96273. to 313.HSAChickos, 1975AC
19.2 ± 0.38319.TSGCClark, Knox, et al., 1975Based on data from 306. to 332. K.; AC
18.0298. to 318.MEPribilová and Pouchlý, 1974AC
19.98 ± 0.59283.VRadchenko and Kitaigorodskii, 1974ALS
18.12 ± 0.14342.5VAihara, 1959ALS
18.1 ± 0.1289.N/AAihara, 1955Based on data from 279. to 299. K.; AC
19.5 ± 0.41301.N/ABradley and Cleasby, 1953Based on data from 288. to 314. K.; AC
19.500288.05VBradley and Cleasby, 1953, 2ALS
17.9 ± 0.41297.N/ASeki and Suzuki, 1953Based on data from 287. to 307. K.; AC
16.4 ± 0.2292.QFWolf and Weghofer, 1938AC
16.4 ± 0.2295.VWolf and Weghofer, 1938, 2ALS

Entropy of sublimation

ΔsubS (cal/mol*K) Temperature (K) Reference Comment
65.349298.15Chirico, Knipmeyer, et al., 1989DH

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
4.43977342.098N/AChirico, Knipmeyer, et al., 1989DH
4.4407342.2N/AO'Rourke and Mraw, 1983DH
4.4933344.1N/ASmith, 1979DH
4.4570341.5N/ASpaght, Thomas, et al., 1932DH
4.71342.3DSCKhimeche and Dahmani, 2006AC
4.606344.34DSCBenkhennouf, Kamel, et al., 2004AC
4.460341.5N/ADomalski and Hearing, 1996AC
4.4395343.N/AUeberreiter and Orthmann, 1950DH
4.4441342.N/ASchmidt, 1941DH
4.5280314.3N/AEykman, 1889DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
12.978342.098Chirico, Knipmeyer, et al., 1989DH
13.0342.2O'Rourke and Mraw, 1983DH
13.0344.1Smith, 1979DH
13.0341.5Spaght, Thomas, et al., 1932DH
13.10341.5Domalski and Hearing, 1996CAL
13.0343.Ueberreiter and Orthmann, 1950DH
13.0342.Schmidt, 1941DH
14.4314.3Eykman, 1889DH

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.00003616.8crystaline, IIIcrystaline, IISaito, Atake, et al., 1988DH
0.0012040.4crystaline, IIcrystaline, ISaito, Atake, et al., 1988Twist transition.; DH
0.00003616.8crystaline, IIIcrystaline, IIAtake, Saito, et al., 1983Anomalous region: 15.3 to 18.3 K.; DH
0.0012040.4crystaline, IIcrystaline, IAtake, Saito, et al., 1983Anomalous region: 30 to 47 K.; DH
0.00007011.0crystaline, IIIcrystaline, IIAtaki and Chihara, 1980DH
0.0012040.4crystaline, IIcrystaline, IAtaki and Chihara, 1980DH
4.7562343.3crystaline, IliquidWasicki, Radomska, et al., 1982DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.00216.8crystaline, III, Lockcrystaline, II, in transitionSaito, Atake, et al., 1988DH
0.030840.4crystaline, IIcrystaline, ISaito, Atake, et al., 1988Twist; DH
0.00216.8crystaline, IIIcrystaline, IIAtake, Saito, et al., 1983Anomalous; DH
0.030840.4crystaline, IIcrystaline, IAtake, Saito, et al., 1983Anomalous; DH
0.006011.0crystaline, IIIcrystaline, IIAtaki and Chihara, 1980DH
0.030840.4crystaline, IIcrystaline, IAtaki and Chihara, 1980DH
13.9343.3crystaline, IliquidWasicki, Radomska, et al., 1982DH

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, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
MS - José A. Martinho Simões
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

C10H8+ + Biphenyl = (C10H8+ • Biphenyl)

By formula: C10H8+ + C12H10 = (C10H8+ • C12H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr13.5kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr28.cal/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.2297.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

C12H8+ + Biphenyl = (C12H8+ • Biphenyl)

By formula: C12H8+ + C12H10 = (C12H8+ • C12H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr13.4kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr28.cal/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.5279.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

C17H24F3N3O3RuS (solution) + Biphenyl (solution) = C23H25F3O3RuS (solution) + 3Acetonitrile (solution)

By formula: C17H24F3N3O3RuS (solution) + C12H10 (solution) = C23H25F3O3RuS (solution) + 3C2H3N (solution)

Quantity Value Units Method Reference Comment
Δr-3.61 ± 0.1kcal/molRSCNolan, Martin, et al., 1992solvent: Tetrahydrofuran; MS

3Hydrogen + Biphenyl = Benzene, cyclohexyl-

By formula: 3H2 + C12H10 = C12H16

Quantity Value Units Method Reference Comment
Δr-54.kcal/molEqkFrye, 1962liquid 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, References, Notes

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

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
1.2 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
3.6 LN/A 
3.3 MN/A 
2.5 MMackay, Shiu, et al., 1979 
1.2 VBohon and Claussen, 1951 

Gas phase ion energetics data

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

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

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to C12H10+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.16 ± 0.13eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)194.5kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity187.1kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
<0.130 ± 0.035ECDWojnarovits and Foldiak, 1981EA is an upper limit: Chen and Wentworth, 1989. G3MP2B3 calculations indicate an EA of ca. -0.02 eV, anion unbound.; B

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
193.3Aue, Guidoni, et al., 2000Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM

Gas basicity at 298K

Gas basicity (review) (kcal/mol) Reference Comment
186.6Aue, Guidoni, et al., 2000Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM

Ionization energy determinations

IE (eV) Method Reference Comment
8.80 ± 0.05EILoudon and Mazengo, 1974LLK
8.9EIKoppel, Schwarz, et al., 1974LLK
7.95 ± 0.02PEMaier and Turner, 1972LLK
8.23 ± 0.01PEDewar, Haselbach, et al., 1970RDSH
8.20 ± 0.05PEEland and Danby, 1968RDSH
8.46CTSSlifkin and Allison, 1967RDSH
8.22 ± 0.15EIEland, Shepherd, et al., 1966RDSH
8.27 ± 0.01PIWatanabe, Nakayama, et al., 1962RDSH
8.64CTSKinoshita, 1962RDSH
8.35CTSBriegleb, Czekalla, et al., 1961RDSH
8.4CTSBriegleb and Czekalla, 1959RDSH
8.39PEAkiyama, Li, et al., 1979Vertical value; LLK
8.34PERuscic, Kovac, et al., 1978Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H4+18.1 ± 0.3?EINatalis and Franklin, 1965RDSH
C6H5+18.2 ± 0.5?EINatalis and Franklin, 1965RDSH
C7H5+20.9 ± 0.2?EINatalis and Franklin, 1965RDSH
C8H6+18.10 ± 0.05?EINatalis and Franklin, 1965RDSH
C9H7+16.08 ± 0.05?EINatalis and Franklin, 1965RDSH
C10H8+14.81 ± 0.05?EINatalis and Franklin, 1965RDSH
C11H7+14.8 ± 0.2CH3EILoudon and Mazengo, 1974LLK
C12H8+16.89 ± 0.08?EINatalis and Franklin, 1965RDSH
C12H9+13.6 ± 0.2HEILoudon and Mazengo, 1974LLK
C12H9+14.36HEINatalis and Franklin, 1965RDSH
C12H82+22.0 ± 1.0?EINatalis and Franklin, 1965RDSH

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, 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: 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

C10H8+ + Biphenyl = (C10H8+ • Biphenyl)

By formula: C10H8+ + C12H10 = (C10H8+ • C12H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr13.5kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr28.cal/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.2297.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

C12H8+ + Biphenyl = (C12H8+ • Biphenyl)

By formula: C12H8+ + C12H10 = (C12H8+ • C12H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr13.4kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr28.cal/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.5279.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

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, References, Notes

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, UV/Visible spectrum, References, Notes

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

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

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

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, 1990.
NIST MS number 114218

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), References, Notes

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

Data compiled by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

UVVis spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Source Almasy and Laemmel, 1950
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 604
Instrument Hilger E2
Melting point 69
Boiling point 256.1

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, Notes

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

Dorofeeva O.V., 1997
Dorofeeva O.V., Unpublished results. Thermocenter of Russian Academy of Science, Moscow, 1997. [all data]

Trevissoi C., 1955
Trevissoi C., Specific heat and entropy of biphenyl, Ann. Chim. (Rome), 1955, 45, 943-959. [all data]

Katon J.E., 1959
Katon J.E., The vibrational spectra and geometrical configuration of biphenyl, Spectrochim. Acta, 1959, 15, 627-650. [all data]

Aleman H., 1973
Aleman H., Thermodynamic functions for biphenyl and the 4,4'-dihalogenobiphenyls, Thermochim. Acta, 1973, 7, 69-73. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Chirico R.D., 1989
Chirico R.D., The thermodynamic properties of biphenyl, J. Chem. Thermodyn., 1989, 21, 1307-1331. [all data]

Roux, Temprado, et al., 2008
Roux, M.V.; Temprado, M.; Chickos, J.S.; Nagano, Y., Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons, J. Phys. Chem. Ref. Data, 2008, 37, 4, 1855-1996. [all data]

Montgomery, Rossini, et al., 1978
Montgomery, R.L.; Rossini, F.D.; Mansson, M., Enthalpies of combustion, vaporization, and formation of phenylbenzene, cyclohexylbenzene, and cyclohexylcyclohexane; enthalpy of hydrogenation of certain aromatic systems, J. Chem. Eng. Data, 1978, 23, 125-129. [all data]

Coleman and Pilcher, 1966
Coleman, D.J.; Pilcher, G., Heats of combustion of biphenyl, bibenzyl, naphthalene, anthracene, and phenanthrene, Trans. Faraday Soc., 1966, 62, 821-827. [all data]

Mackle and O'Hare, 1963
Mackle, H.; O'Hare, P.A.G., A high-precision aneroid semi-micro combustion calorimeter, Trans. Faraday Soc., 1963, 59, 2693-2701. [all data]

Parks and Vaughan, 1951
Parks, G.S.; Vaughan, L.M., The heat of combustion of biphenyl, J. Am. Chem. Soc., 1951, 73, 2380-2381. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Chirico, Knipmeyer, et al., 1989
Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Steele, W.V., The thermodynamic properties of biphenyl, J. Chem. Thermodyn., 1989, 21, 1307-1331. [all data]

Saito, Atake, et al., 1988
Saito, K.; Atake, T.; Chihara, H., Incommensurate phase transitions and anomalous lattice heat capacities of biphenyl, Bull. Chem. Soc. Japan, 1988, 61, 679-688. [all data]

Huffman, Parks, et al., 1930
Huffman, H.M.; Parks, G.S.; Daniels, A.C., Thermal data on organic compounds. VII. The heat capacities, entropies and free energies of twelve aromatic hydrocarbons, J. Am. Chem. Soc., 1930, 52, 1547-1558. [all data]

Walker, Brooks, et al., 1958
Walker, B.E., Jr.; Brooks, M.S.; Ewing, C.T.; Miller, R.R., Specific heat of biphenyl and other polyphenyls. Correlation of specific heat data for phenyl type compounds, J. Chem. Eng. Data, 1958, 3, 280-282. [all data]

McEwen, March 31 1956
McEwen, M., Preliminary engineering study of organic nuclear reactor coolant-moderators Monsanto Chemical Co, March 31 1956. [all data]

Kurbatov, 1950
Kurbatov, V.Ya., Specific heats of liquids. III. Specific heat of hydrocarbons with several noncondensed rings, Zhur. Obshch. Khim., 1950, 20, 1139-1144. [all data]

Forrest, Brugmann, et al., 1931
Forrest, H.O.; Brugmann, E.W.; Cummings, L.W.T., The specific heat of diphenyl, Ind. Eng. Chem., 1931, 23, 37-39. [all data]

Newton, Kaura, et al., 1931
Newton, R.F.; Kaura, B.D.; DeVries, T., The specific heat of liquid diphenyl, Ind. Eng. Chem., 1931, 23, 35-37. [all data]

O'Rourke and Mraw, 1983
O'Rourke, D.F.; Mraw, S.C., Heat capacities and enthalpies of fusion of dibenzothiophene (220 to 560 K) and of biphenyl, cyclohexylbenzene, and cyclohexylcyclohexane (220 to 475 K). Enthalpies and temperatures of three transitions in solid cyclohexylcyclohexane, J. Chem. Thermodynam., 1983, 15, 489-502. [all data]

Wasicki, Radomska, et al., 1982
Wasicki, J.; Radomska, M.; Radomski, R., Heat capacities of diphenyl, p-terphenyl and p-quaterphenyl from 180 K to their melting points, J. Therm. Anal., 1982, 25, 509-514. [all data]

Ueberreiter and Orthmann, 1950
Ueberreiter, K.; Orthmann, H.-J., Specifische Wärme, spezifisches Volumen, Temperatur- und Wärme-leittähigkeit einiger disubstituierter Benzole und polycyclischer Systeme, Z. Natursforsch. 5a, 1950, 101-108. [all data]

Schmidt, 1941
Schmidt, W.R., Thesis Washington University (St. Louis), 1941. [all data]

Spaght, Thomas, et al., 1932
Spaght, M.E.; Thomas, S.B.; Parks, G.S., Some heat capacity data on organic compounds obtained with a radiation calorimeter, J. Phys. Chem., 1932, 36, 882-888. [all data]

Chirico, Knipmeyer, et al., 1989, 2
Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Steele, W.V., The thermodynamic properties of biphenyl, J. Chem. Thermodyn., 1989, 21, 1307-31. [all data]

Parks and Huffman, 1931
Parks, G.S.; Huffman, H.M., Some fusion and transition data for hydrocarbons, Ind. Eng. Chem., 1931, 23, 1138-9. [all data]

Tsonopoulos and Ambrose, 1995
Tsonopoulos, C.; Ambrose, D., Vapor-Liquid Critical Properties of Elements and Compounds. 3. Aromatic Hydrocarbons, J. Chem. Eng. Data, 1995, 40, 547-558. [all data]

Ellard and Yanko, 1963
Ellard, J.A.; Yanko, W.H., , U. S. A. E. C. Rep. IDO-11008, 1963. [all data]

Reiter, 1963
Reiter, R.W., , NASA Doc. N63-19495 1963 1963, 1963. [all data]

Mandel and Ewbank, 1960
Mandel, H.; Ewbank, N., , Atomics International NAA-S-R-5129 1960, 1960. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Back, Grzyll, et al., 1996
Back, Dwight D.; Grzyll, Lawrence R.; Corrigan, Mary, DSC enthalpy of vaporization measurements of high temperature two-phase working fluids, Thermochimica Acta, 1996, 272, 53-63, https://doi.org/10.1016/0040-6031(95)02615-0 . [all data]

Sakoguchi, Iwai, et al., 1989
Sakoguchi, Akihiro; Iwai, Yoshio; Takenaka, Jun; Arai, Yasuhiko, Measurement of vapor pressures of tetralin, 1-naphthol and biphenyl using flow-type apparatus., KAGAKU KOGAKU RONBUNSHU, 1989, 15, 1, 166-169, https://doi.org/10.1252/kakoronbunshu.15.166 . [all data]

Sasse, N'guimbi, et al., 1989
Sasse, K.; N'guimbi, J.; Jose, J.; Merlin, J.C., Tension de vapeur d'hydrocarbures polyaromatiques dans le domaine 10-3--10 Torr, Thermochimica Acta, 1989, 146, 53-61, https://doi.org/10.1016/0040-6031(89)87075-3 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Nasir, Hwang, et al., 1980
Nasir, P.; Hwang, S.C.; Kobayashi, R., Development of an apparatus to measurement vapor pressures at high temperatures and its application to three higher-boiling compounds, J. Chem. Eng. Data, 1980, 25, 4, 298-301, https://doi.org/10.1021/je60087a009 . [all data]

Glaser and Rüland, 1957
Glaser, Fritz; Rüland, Heinz, Untersuchungen über Dampfdruckkurven und kritische Daten einiger technisch wichtiger organischer Substanzen, Chemie Ing. Techn., 1957, 29, 12, 772-775, https://doi.org/10.1002/cite.330291204 . [all data]

Cunningham, 1930
Cunningham, G.V., Power, 1930, 72, 374. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Cunningham, 1930, 2
Cunningham, G.B., Diphenyl (C6H5-C6H5). May Solve Reheating Problem, Power, 1930, 72, 374-377. [all data]

Nass, Lenoir, et al., 1995
Nass, Karen; Lenoir, Dieter; Kettrup, Antonius, Calculation of the Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons by an Incremental Procedure, Angew. Chem. Int. Ed. Engl., 1995, 34, 16, 1735-1736, https://doi.org/10.1002/anie.199517351 . [all data]

Chickos, 1975
Chickos, James Speros, A simple equilibrium method for determining heats of sublimation, J. Chem. Educ., 1975, 52, 2, 134-39, https://doi.org/10.1021/ed052p134 . [all data]

Clark, Knox, et al., 1975
Clark, Timothy; Knox, Trevor; Mackle, Henry; McKervey, M. Anthony; Rooney, John J., Heats of sublimation of some cage hydrocarbons by a temperature scanning technique, J. Chem. Soc., Faraday Trans. 1, 1975, 71, 0, 2107, https://doi.org/10.1039/f19757102107 . [all data]

Pribilová and Pouchlý, 1974
Pribilová, J.; Pouchlý, J., Vapour pressure of some low-volatile hydrocarbons determined by the effusion method, Collect. Czech. Chem. Commun., 1974, 39, 5, 1118-1124, https://doi.org/10.1135/cccc19741118 . [all data]

Radchenko and Kitaigorodskii, 1974
Radchenko, L.G.; Kitaigorodskii, A.I., The vapour pressures and heats of sublimation of naphthalene, biphenyl, octafluoronaphthalene, decafluorobiphenyl, acenaphthene and α-nitronaphthalene, Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 1595. [all data]

Aihara, 1959
Aihara, A., Estimation of the energy of hydrogen bonds formed in crystals. I. Sublimation pressures of some organic molecular crystals and the additivity of lattice energy, Bull. Chem. Soc. Jpn., 1959, 32, 1242. [all data]

Aihara, 1955
Aihara, A., J. Chem. Soc. Jpn. Pure Chem. Sect., 1955, 76, 492. [all data]

Bradley and Cleasby, 1953
Bradley, R.S.; Cleasby, T.G., 349. The vapour pressure and lattice energy of some aromatic ring compounds, J. Chem. Soc., 1953, 1690, https://doi.org/10.1039/jr9530001690 . [all data]

Bradley and Cleasby, 1953, 2
Bradley, R.S.; Cleasby, T.G., The vapour pressure and lattice energy of some aromatic ring compounds, J. Am. Chem. Soc., 1953, 1690-16. [all data]

Seki and Suzuki, 1953
Seki, Syûzô; Suzuki, Keisuke, Physico-Chemical Studies on Molecular Compounds. III. Vapor Pressures of Diphenyl, 4, 4'-Dinitrodiphenyl, and Molecular Compound between Them, Bull. Chem. Soc. Jpn., 1953, 26, 5, 209-213, https://doi.org/10.1246/bcsj.26.209 . [all data]

Wolf and Weghofer, 1938
Wolf, K.L.; Weghofer, H.Z., Z. Phys. Chem. Abt. B, 1938, 39, 194. [all data]

Wolf and Weghofer, 1938, 2
Wolf, K.L.; Weghofer, H., Uber sublimationswarmen, Z. Phys. Chem., 1938, 39, 194-208. [all data]

Smith, 1979
Smith, G.W., Phase behavior of some linear polyphenyls, Mol. Cryst. Liq. Cryst., 1979, 49, 207-209. [all data]

Khimeche and Dahmani, 2006
Khimeche, K.; Dahmani, A., Determination by DSC of solid--liquid diagrams for polyaromatic -- 4,4'diaminodiphenylmethane binary systems, J Therm Anal Calorim, 2006, 84, 1, 47-52, https://doi.org/10.1007/s10973-005-7167-9 . [all data]

Benkhennouf, Kamel, et al., 2004
Benkhennouf, M.; Kamel, K.; Dahmani, A., Solid-liquid phase equilibria for aromatic compounds, J. Phys. IV France, 2004, 113, 7-9, https://doi.org/10.1051/jp4:20040002 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Eykman, 1889
Eykman, J.F., Zur kryoskopischen Molekulargewichtsbestimmung, Z. Physik. Chem., 1889, 4, 497-519. [all data]

Atake, Saito, et al., 1983
Atake, T.; Saito, K.; Chihara, H., Low temperature heat capacities of 1,1'-biphenyl and 1,1'-biphenyl-d10, Chem. Lett., 1983, (4), 493-496. [all data]

Ataki and Chihara, 1980
Ataki, T.; Chihara, H., Heat capacity anomalies due to successive phase transitions in 1,1'-biphenyl, Solid State Commun., 1980, 35, 131-134. [all data]

Meot-Ner (Mautner), 1980
Meot-Ner (Mautner), M., Dimer Cations of Polycyclic Aromatics: Experimental Bonding Energies and Resonance Stabilization, J. Phys. Chem., 1980, 84, 21, 2724, https://doi.org/10.1021/j100458a012 . [all data]

Nolan, Martin, et al., 1992
Nolan, S.P.; Martin, K.L.; Stevens, E.D.; Fagan, P., Organometallics, 1992, 11, 3947. [all data]

Frye, 1962
Frye, C.G., Equilibria in the hydrogenation of polycyclic aromatics, J. Chem. Eng. Data, 1962, 7, 592-595. [all data]

Mackay, Shiu, et al., 1979
Mackay, D.; Shiu, W.-Y.; Sutherland, R.P., Determination of Air-Water Henry's Law Constants for Hydrophobic Pollutants, Environ. Sci. Technol., 1979, 13, 333-337. [all data]

Bohon and Claussen, 1951
Bohon, R.L.; Claussen, W.F., The solubility of aromatic hydrocarbons in water, J. Am. Chem. Soc., 1951, 73, 1571-1578. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Wojnarovits and Foldiak, 1981
Wojnarovits, L.; Foldiak, G., Electron capture detection of aromatic hydrocarbons, J. Chromatogr. Sci., 1981, 206, 511. [all data]

Chen and Wentworth, 1989
Chen, E.C.M.; Wentworth, W.E., Experimental Determination of Electron Affinities of Organic Molecules, Mol. Cryst. Liq. Cryst., 1989, 171, 271. [all data]

Aue, Guidoni, et al., 2000
Aue, D.H.; Guidoni, M.; Betowski, L.D., Ab initio calculated gas-phase basicities of polynuclear aromatic hydrocarbons, Int. J. Mass Spectrom., 2000, 201, 283. [all data]

Loudon and Mazengo, 1974
Loudon, A.G.; Mazengo, R.Z., Steric strain and electron-impact. The behaviour of some n, n'-dimethyl- 1,1-binaphthyls, some n, n'-dimethylbiphenyls and model compounds, Org. Mass Spectrom., 1974, 8, 179. [all data]

Koppel, Schwarz, et al., 1974
Koppel, C.; Schwarz, H.; Bohlmann, F., Elektronenstossinduzierte fragmentierung von acetylenverbindungen, Org. Mass Spectrom., 1974, 9, 324. [all data]

Maier and Turner, 1972
Maier, J.P.; Turner, D.W., Steric inhibition of resonance studied by molecular photoelectron spectroscopy. Part I. Biphenyls, Faraday Discuss. Chem. Soc., 1972, 54, 149. [all data]

Dewar, Haselbach, et al., 1970
Dewar, M.J.S.; Haselbach, E.; Worley, S.D., Calculated and observed ionization potentials of unsaturated polycyclic hydrocarbons; calculated heats of formation by several semiempirical s.c.f. m.o. methods, Proc. Roy. Soc. (London), 1970, A315, 431. [all data]

Eland and Danby, 1968
Eland, J.H.D.; Danby, C.J., Inner ionization potentials of aromatic compounds, Z. Naturforsch., 1968, 23a, 355. [all data]

Slifkin and Allison, 1967
Slifkin, M.A.; Allison, A.C., Measurement of ionization potentials from contact charge transfer spectra, Nature, 1967, 215, 949. [all data]

Eland, Shepherd, et al., 1966
Eland, J.H.D.; Shepherd, P.J.; Danby, C.J., Ionization potentials of aromatic molecules determined by analytical interpretation of electron impact data, Z. Naturforsch., 1966, 21a, 1580. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Kinoshita, 1962
Kinoshita, M., The absorption spectra of the molecular complexes of aromatic compounds with p-bromanil, Bull. Chem. Soc. Japan, 1962, 35, 1609. [all data]

Briegleb, Czekalla, et al., 1961
Briegleb, G.; Czekalla, J.; Reuss, G., Mesomeriemomente und Elektronenuberfuhrungsbanden von Elektronen-donator-akzeptor-komplexen des Chloranils und Tetracyanathylens mit aromatischen Kohlenwasserstoffen, Z. Phys. Chem. (Neue Folge), 1961, 30, 333. [all data]

Briegleb and Czekalla, 1959
Briegleb, G.; Czekalla, J., Die Bestimmung von lonisierungsenergien aus den Spektren von Elektronenubergangskomplexen, Z.Elektrochem., 1959, 63, 6. [all data]

Akiyama, Li, et al., 1979
Akiyama, I.; Li, K.C.; LeBreton, P.R.; Fu, P.P.; Harvey, R.G., Ultraviolet photoelectron studies of polycyclic aromatic hydrocarbons. The ground-state electronic structure of aryloxiranes and metabolites of benzo[a]pyrene, J. Phys. Chem., 1979, 83, 2997. [all data]

Ruscic, Kovac, et al., 1978
Ruscic, B.; Kovac, B.; Klasinc, L.; Gusten, H., Photoelectron spectroscopy of J. Heterocycl. Chem.. Fluorene analogues, Z. Naturforsch. A:, 1978, 33, 1006. [all data]

Natalis and Franklin, 1965
Natalis, P.; Franklin, J.L., Ionization and dissociation of diphenyl and condensed ring aromatics by electron impact. I. Biphenyl, diphenylacetylene, and phenanthrene, J. Phys. Chem., 1965, 69, 2935. [all data]

Almasy and Laemmel, 1950
Almasy, F.; Laemmel, H., Der einfluss der temperatur auf das absorptionsspektrum des diphenyldampfes im nahen ultraviolett. Extinktionsmessungen zwischen 170 and 520° C, Helv. Chim. Acta, 1950, 33, 2092-2100. [all data]


Notes

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, References