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Naphthalene

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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
Deltafgas36. ± 2.kcal/molAVGN/AAverage of 7 values; Individual data points

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
8.64750.Thermodynamics Research Center, 1997p=1 bar. Selected values of S(T) and Cp(T) agree with those calculated by statistical thermodynamics method [ Dorofeeva O.V., 1986, Dorofeeva O.V., 1988] within 1.2 J/mol*K. Discrepancies with other calculations [ Barrow G.M., 1951, McClellan A.L., 1955, 79CHE/KUD, Lielmezs J., 1981] reach 2-3 J/mol*K.; GT
11.35100.
15.27150.
20.31200.
28.805273.15
31.793298.15
32.012300.
43.298400.
52.749500.
60.318600.
66.389700.
71.326800.
75.406900.
78.8171000.
81.691100.
84.131200.
86.231300.
88.001400.
89.561500.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
48.18 ± 0.48451.0Barrow G.M., 1951GT
54.17 ± 0.54522.7

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
liquid52.005cal/mol*KN/AChirico, Knipmeyer, et al., 1993DH
Quantity Value Units Method Reference Comment
Deltafsolid18. ± 2.kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Deltacsolid-1232. ± 5.kcal/molAVGN/AAverage of 18 values; Individual data points
Quantity Value Units Method Reference Comment
solid,1 bar40.010cal/mol*KN/AMcCullough, Finke, et al., 1957DH
solid,1 bar38.920cal/mol*KN/ASouthard and Brickwedde, 1933DH
solid,1 bar39.880cal/mol*KN/APearce and Tanner, 1934Extrapolation below 90 K, 58.32 J/mol*K.; DH
solid,1 bar39.89cal/mol*KN/AHuffman, Parks, et al., 1930Extrapolation below 90 K, 53.09 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
46.859298.15Chirico, Knipmeyer, et al., 1993T = 260 to 700 K.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
50.9330.David, 1964T = 298 to 353 K. Mean value. T = uncertain.; DH
45.03342.Rastogi and Bassi, 1964T = 342, 384 K.; DH
39.601298.15McCullough, Finke, et al., 1957T = 10 to 370 K.; DH
37.31298.15Ueberreiter and Orthmann, 1950T = 293 to 368 K. Equation only.; DH
46.80298.1Eibert, 1944T = 30 to 200°C, equations only in t°C. Cp(c) = 0.365 cal/g*K (30 to 80°C); Cp(liq) = 0.329 + 0.000824t cal/g*K (80 to 200°C).; DH
38.60298.1Schmidt, 1941T = 22 to 200°C, equations only, in t°C. Cp(c) = 0.2595 + 0.001672t cal/g*K (22 to 80°C); Cp(liq) = 0.3360 + 0.0008180t cal/g*K (80 to 200°C).; DH
40.179301.58Hicks, 1938T = 58 to 304 K. Value is unsmoothed experimental datum.; DH
40.170297.6Pearce and Tanner, 1934T = 94 to 298 K. Value is unsmoothed experimental datum.; DH
39.551294.68Southard and Brickwedde, 1933T = 15 to 295 K. Value is unsmoothed experimental datum.; DH
40.39303.Spaght, Thomas, et al., 1932T = 30 to 190°C.; DH
39.10295.1Huffman, Parks, et al., 1930T = 91 to 295 K.; DH
38.10298.Andrews, Lynn, et al., 1926T = 12 to 300°C.; 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
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
Tboil490. ± 5.KAVGN/AAverage of 10 out of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus353.2 ± 0.7KAVGN/AAverage of 55 out of 57 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple353.39 ± 0.09KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tc748. ± 6.KAVGN/AAverage of 13 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Pc40. ± 1.atmAVGN/AAverage of 10 out of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.407l/molN/ATsonopoulos and Ambrose, 1995 
Vc0.409l/molN/ACheng, 1963Uncertainty assigned by TRC = 0.06 l/mol; TRC
Quantity Value Units Method Reference Comment
rhoc2.46 ± 0.05mol/lN/ATsonopoulos and Ambrose, 1995 
rhoc2.497mol/lN/AChirico, Knipmeyer, et al., 1993, 2Uncertainty assigned by TRC = 0.078 mol/l; TRC
rhoc2.450mol/lN/ASchroeer, 1941Uncertainty assigned by TRC = 0.04 mol/l; TRC
rhoc2.456mol/lN/AZhuravlev, 1937Uncertainty assigned by TRC = 0.04 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap13.0kcal/molCGCZhao, Unhannanant, et al., 2008AC
Deltavap14.4 ± 0.26kcal/molGCHaftka, Parsons, et al., 2006Based on data from 333. - 403. K.; AC
Deltavap12.8kcal/molCGCChickos, Hesse, et al., 1998AC
Deltavap13.5kcal/molCGCChickos, Hosseini, et al., 1995Based on data from 403. - 453. K.; AC
Quantity Value Units Method Reference Comment
Deltasub17. ± 1.kcal/molAVGN/AAverage of 17 values; Individual data points

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
16.934323.N/ATorres-Gomez, Barreiro-Rodriguez, et al., 1988DH
13.4398.GCLei, Chankalal, et al., 2002Based on data from 323. - 473. K.; AC
11.4 ± 0.43491. - 747.DSCBoller and Wiedemann, 1998AC
10.9475.DSCBack, Grzyll, et al., 1996Based on data from 460. - 647. K.; AC
11.6 ± 0.07400.EBChirico, Knipmeyer, et al., 1993AC
11.1440.EBChirico, Knipmeyer, et al., 1993AC
10.5480.EBChirico, Knipmeyer, et al., 1993AC
9.92520.EBChirico, Knipmeyer, et al., 1993AC
10.6528.N/ALee and Holder, 1993Based on data from 513. - 613. K.; AC
11.4423.EBAmbrose, Ewing, et al., 1990Based on data from 418. - 613. K.; AC
12.1367.AStephenson and Malanowski, 1987Based on data from 352. - 500. K.; AC
10.7506.AStephenson and Malanowski, 1987Based on data from 491. - 565. K.; AC
10.3578.AStephenson and Malanowski, 1987Based on data from 563. - 663. K.; AC
10.3676.AStephenson and Malanowski, 1987Based on data from 661. - 750. K.; AC
12.0 ± 0.05370.N/Ade Kruif, Kuipers, et al., 1981Based on data from 353. - 388. K.; AC
10.7466.N/AWilson, Johnston, et al., 1981Based on data from 441. - 727. K.; AC
12.1369.N/AFowler, Trump, et al., 1968Based on data from 354. - 453. K.; AC
11.7414.N/ACamin and Rossini, 1955Based on data from 399. - 491. K.; AC
11.1441.CBarrow and McClellan, 1951AC
11.5379.ICramer, 1943AC
11.3423.IMortimer and Murphy, 1923Based on data from 373. - 473. K.; AC
11.4427.INELSON and SENSEMAN, 1922Based on data from 360. - 494. K.; AC

Entropy of vaporization

DeltavapS (cal/mol*K) Temperature (K) Reference Comment
52.41323.Torres-Gomez, Barreiro-Rodriguez, et al., 1988DH

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
353.48 - 452.304.265461831.571-61.329Fowler, Trump, et al., 1968Coefficents calculated by NIST from author's data.
399.47 - 491.793.964961606.529-85.923Camin and Rossini, 1955 

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
17.285298.15N/ATorres-Gomez, Barreiro-Rodriguez, et al., 1988DH
17.4327.GSGrayson and Fosbraey, 2006Based on data from 302. - 352. K.; AC
15. ± 0.1281. - 290.LEMcEachern and Sandoval, 2001AC
21.0 ± 0.60267. - 303.MEBoller and Wiedemann, 1998AC
17.1333.GSNass, Lenoir, et al., 1995Based on data from 313. - 353. K.; AC
17.6 ± 0.24258.GSWania, Shiu, et al., 1994Based on data from 243. - 273. K.; AC
18.7 ± 0.2337. - 352.GCKhudyakov, 1988AC
16.9 ± 1.323.DSCTorres-Gomez, Barreiro-Rodriguez, et al., 1988AC
17.5315.GSSATO, INOMATA, et al., 1986Based on data from 299. - 331. K.; AC
17.3 ± 0.2293. - 331.QRGlukhova, Arkhangelova, et al., 1985AC
16.7333. - 393.GSMatsubara and Kuwamoto, 1985AC
18.1 ± 0.26303.GSSonnefeld, Zoller, et al., 1983Based on data from 283. - 323. K.; AC
17.4 ± 0.07271. - 285.MEColomina, Jimenez, et al., 1982AC
17.3 ± 0.02274. - 353.DMde Kruif, Kuipers, et al., 1981AC
17.4 ± 0.1253. - 273.TEKruif, 1980AC
18.2 ± 0.48328. - 398.DSCMurray, Cavell, et al., 1980AC
17.0293.GSMacknick and Prausnitz, 1979Based on data from 280. - 305. K.; AC
17.87 ± 0.1253. - 273.TEDe Kruif and Van Ginkel, 1977AC
17.7 ± 0.05253. - 273.MEDe Kruif and Van Ginkel, 1977AC
17.3 ± 0.07263. - 343.DMAmbrose, Lawrenson, et al., 1975AC
16.2 ± 0.84280.HSAChickos, 1975AC
17.77 ± 0.41303. - 329.TSGCMcEachern, Sandoval, et al., 1975AC
17.38 ± 0.40283.VRadchenko and Kitaigorodskii, 1974ALS
17.4283. - 323.MERadchenko, 1971AC
15.90 ± 0.20283.VKaryakin, Rabinovich, et al., 1968ALS
17.4 ± 0.07230. - 260.KGMiller, 1963See also Cox and Pilcher, 1970.; AC
15.84 ± 0.54354.7VAihara, 1959crystal phase; ALS
15.8276. - 283.VAihara, 1959, 2AC
16.5268.N/AHoyer and Peperle, 1958Based on data from 253. - 283. K.; AC
15.7293.EffusionSklyarenko, Markin, et al., 1958Based on data from 283. - 303. K.; AC
17.2292.N/ASherwood and Bryant, 1957Based on data from 273. - 311. K.; AC
17.3279. - 294.N/ABradley and Cleasby, 1953See also Jones, 1960 and Sears and Hopke, 1954.; AC
17.300279.7VBradley and Cleasby, 1953, 2ALS
15.7297.EffusionZibberman-Granovskaya, 1940Based on data from 288. - 306. K.; AC
18.3237. - 276.N/AAndrews, 1925AC
19.6293.MESwan and Mack, 1925Based on data from 283. - 303. K.; AC

Entropy of sublimation

DeltasubS (cal/mol*K) Temperature (K) Reference Comment
57.98298.15Torres-Gomez, Barreiro-Rodriguez, et al., 1988DH

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
4.4959353.44N/AMastrangelo, 1957DH
4.3561353.43N/AMcCullough, Finke, et al., 1957DH
4.5889353.0N/ASpaght, Thomas, et al., 1932DH
4.57353.5DSCSharma, Gupta, et al., 2008AC
3.929353.8DSCHafsaoui and Mahmoud, 2007AC
4.673354.7DSCKhimeche and Dahmani, 2006AC
4.673354.7DSCKhimeche and Dahmani, 2006, 2AC
4.54353.4ACChirico, Knipmeyer, et al., 2002Based on data from 5. - 440. K.; AC
4.57353.4N/AAcree, 1991AC
4.5459354.1N/ASyunyaev, Tumanyan, et al., 1984Relative error in determination ± 5%.; DH
4.5650353.5N/ARastogi and Bassi, 1964DH
4.4897353.N/AUeberreiter and Orthmann, 1950DH
4.4909353.4N/AEibert, 1944DH
4.5507353.4N/ASchmidt, 1941DH
4.5411353.1N/AAndrews, Lynn, et al., 1926DH
4.6009353.N/ADavid, 1964Temperature not measured.; DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
12.33353.43McCullough, Finke, et al., 1957DH
13.0353.0Spaght, Thomas, et al., 1932DH
12.8354.1Syunyaev, Tumanyan, et al., 1984Relative; DH
12.9353.5Rastogi and Bassi, 1964DH
12.7353.Ueberreiter and Orthmann, 1950DH
12.7353.4Eibert, 1944DH
12.9353.4Schmidt, 1941DH
12.9353.1Andrews, Lynn, et al., 1926DH
13.353.David, 1964Temperature; DH

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
4.5521353.376crystaline, IliquidAndon and Connett, 1980DH
4.5411353.8crystaline, IliquidRadomska and Radomski, 1980DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
12.88353.376crystaline, IliquidAndon and Connett, 1980DH
12.83353.8crystaline, IliquidRadomska and Radomski, 1980DH

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:
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

C10H7- + Hydrogen cation = Naphthalene

By formula: C10H7- + H+ = C10H8

Quantity Value Units Method Reference Comment
Deltar394.2 ± 1.2kcal/molBranReed and Kass, 2000gas phase; B
Deltar394.2 ± 1.2kcal/molTDEqMeot-ner, Liebman, et al., 1988gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B
Deltar394.0 ± 5.0kcal/molCIDCLardin, Squires, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Deltar385.6 ± 1.3kcal/molH-TSReed and Kass, 2000gas phase; B
Deltar383.8 ± 1.2kcal/molTDEqMeot-ner, Liebman, et al., 1988gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B
Deltar385.4 ± 5.1kcal/molH-TSLardin, Squires, et al., 2001gas phase; B

C6H7N+ + Naphthalene = (C6H7N+ bullet Naphthalene)

By formula: C6H7N+ + C10H8 = (C6H7N+ bullet C10H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar15.4kcal/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar26.cal/mol*KN/AEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
7.3324.PHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated; M

C12H8+ + Naphthalene = (C12H8+ bullet Naphthalene)

By formula: C12H8+ + C10H8 = (C12H8+ bullet C10H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar12.6kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar28.cal/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar5.1kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

C12H9+ + Naphthalene = (C12H9+ bullet Naphthalene)

By formula: C12H9+ + C10H8 = (C12H9+ bullet C10H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar13.9kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar28.cal/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar6.4kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

2Hydrogen + Naphthalene = Naphthalene, 1,2,3,4-tetrahydro-

By formula: 2H2 + C10H8 = C10H12

Quantity Value Units Method Reference Comment
Deltar-29.8kcal/molEqkFrye and Weitkamp, 1969gas phase; ALS
Deltar-28.8 ± 1.2kcal/molEqkWilson, Caflisch, et al., 1958gas phase; Reanalyzed by Cox and Pilcher, 1970, 2, Original value = -32.0 ± 1.2 kcal/mol; At 400 K; ALS

Benzobicyclo[2.2.0]hexa-2,5-diene = Naphthalene

By formula: C10H8 = C10H8

Quantity Value Units Method Reference Comment
Deltar-59.4 ± 1.9kcal/molEqkDreeskamp, Kapahnke, et al., 1988liquid phase; solvent: Heptane; Isomerization; ALS
Deltar-59.6 ± 1.9kcal/molCisoGrimme and Heinze, 1978liquid phase; solvent: Heptane; ALS

C10H8+ + Naphthalene = (C10H8+ bullet Naphthalene)

By formula: C10H8+ + C10H8 = (C10H8+ bullet C10H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar17.8kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar29.cal/mol*KPHPMSMeot-Ner (Mautner), 1980gas phase; M

C10H7- + Hydrogen cation = Naphthalene

By formula: C10H7- + H+ = C10H8

Quantity Value Units Method Reference Comment
Deltar395.5 ± 1.3kcal/molBranReed and Kass, 2000gas phase; B
Quantity Value Units Method Reference Comment
Deltar386.9 ± 1.4kcal/molH-TSReed and Kass, 2000gas phase; B

H4O4- + Naphthalene + 2Water = C10H12O4-

By formula: H4O4- + C10H8 + 2H2O = C10H12O4-

Quantity Value Units Method Reference Comment
Deltar52.3 ± 2.3kcal/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

H2O3- + Naphthalene + Water = C10H10O3-

By formula: H2O3- + C10H8 + H2O = C10H10O3-

Quantity Value Units Method Reference Comment
Deltar37.8 ± 2.3kcal/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

C10H9+ + Naphthalene = (C10H9+ bullet Naphthalene)

By formula: C10H9+ + C10H8 = (C10H9+ bullet C10H8)

Quantity Value Units Method Reference Comment
Deltar14.1kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar30.cal/mol*KPHPMSMeot-Ner (Mautner), 1980gas phase; M

Oxygen anion + Naphthalene = C10H8O2-

By formula: O2- + C10H8 = C10H8O2-

Quantity Value Units Method Reference Comment
Deltar22.1 ± 2.3kcal/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

Nitric oxide anion + Naphthalene = C10H8NO-

By formula: NO- + C10H8 = C10H8NO-

Quantity Value Units Method Reference Comment
Deltar14.5 ± 2.3kcal/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

C10H8NO- + 2Naphthalene = C20H16NO-

By formula: C10H8NO- + 2C10H8 = C20H16NO-

Quantity Value Units Method Reference Comment
Deltar23.8 ± 2.3kcal/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

5Hydrogen + Naphthalene = Naphthalene, decahydro-, cis-

By formula: 5H2 + C10H8 = C10H18

Quantity Value Units Method Reference Comment
Deltar-76.0kcal/molEqkFrye and Weitkamp, 1969gas 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
0.80 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
2.0 XN/A 
2.13600.XN/A 
2.4 LN/A 
2.1 MMackay, Shiu, et al., 1979 
2.1 TMackay, Shiu, et al., 1979 
2.4 VN/A 
1.9 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:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C10H8+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.144 ± 0.001eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)191.9kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity186.3kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
-0.2LPESLyapustina, Xu, et al., 2000Extrapolated from EAs of solvation series naphthalene-...(H2O)n; B
-0.18N/ASong, Han, et al., 2002Extrapolated from LPES EAs of (naphthalene)n; B
-0.200 ± 0.050LPESSchiedt, Knott, et al., 2000Extrapolated from EAs of (H2O)n..naphthalene-. series; B
-0.1908ETSBurrow, Michejda, et al., 1987The question of whether the naphthalene radical anion is bound or not has not been settled; B
0.140 ± 0.050ECDZlatkis, Lee, et al., 1983However, see Heinis, Chowdhury, et al., 1993 for a discussion; it may not be bound.; B
<0.134 ± 0.043ECDWojnarovits and Foldiak, 1981EA is an upper limit: Chen and Wentworth, 1989. G3MP2B3 calculations indicate an EA of ca. -0.3 eV, anion unbound.; B
0.1480 ± 0.0060ECDBecker and Chen, 1966B

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
191.2Aue, 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
185.1Aue, 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
8.12 ± 0.02TRPIGotkis, Oleinikova, et al., 1993LL
8.1442 ± 0.0009TECockett, Ozeki, et al., 1993LL
8.12 ± 0.01PIJochims, Rasekh, et al., 1992LL
8.14EIStahl and Maquin, 1984LBLHLM
8.141 ± 0.001LSDuncan, Dietz, et al., 1981LLK
8.08 ± 0.05EQMautner(Meot-Ner), 1980LLK
8.15PESchafer, Schweig, et al., 1975LLK
8.15PESchafer, Schweig, et al., 1973LLK
8.12CTSPitt, 1973LLK
8.15PEClark, Brogli, et al., 1972LLK
8.13PEBrundle, Robin, et al., 1972LLK
8.15PEBrogli, Heilbronner, et al., 1972LLK
8.16 ± 0.03EIJohnstone, Mellon, et al., 1970RDSH
8.11 ± 0.01PEDewar and Worley, 1969RDSH
8.15 ± 0.01PIYencha and El-Sayed, 1968RDSH
8.133SKitagawa, 1968RDSH
8.14PIKitagawa, 1968RDSH
8.12 ± 0.05PEEland and Danby, 1968RDSH
8.136 ± 0.005SAngus, Christ, et al., 1968RDSH
8.25 ± 0.01EIBonnier, Gelus, et al., 1965RDSH
8.15CTSKuroda, 1964RDSH
8.16CTSBriegleb, 1964RDSH
8.08CTSKinoshita, 1962RDSH
8.1PITerenin, 1961RDSH
8.10CTSBirks and Stifkin, 1961RDSH
8.12 ± 0.01PIWatanabe, 1957RDSH
8.14 ± 0.02PIVilesov and Terenin, 1957RDSH
8.09PEKlasinc, Kovac, et al., 1983Vertical value; LBLHLM
8.15PEKaim, Tesmann, et al., 1980Vertical value; LLK
8.15 ± 0.02PESchmidt, 1977Vertical value; LLK
8.18 ± 0.03PEHeilbronner, Hoshi, et al., 1976Vertical value; LLK
8.15PEClar and Schmidt, 1976Vertical value; LLK
8.31 ± 0.03PEMarschner and Goetz, 1974Vertical value; LLK
8.15PEBock, Wagner, et al., 1972Vertical value; LLK
8.15PEBock and Wagner, 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H3+19.35?PIJochims, Rasekh, et al., 1993LL
C3H3+19.2 ± 0.1C3H3+C4H2PIJochims, Rasekh, et al., 1992LL
C4H2+20.7 ± 0.13C2H2PIJochims, Rasekh, et al., 1992LL
C4H3+22.3 ± 0.12C2H2+C2HPIJochims, Rasekh, et al., 1992LL
C4H4+19.4 ± 0.1C4H2+C2H2PIJochims, Rasekh, et al., 1992LL
C4H4+19.6 ± 0.20?EIVanBrunt and Wacks, 1964RDSH
C5H3+19.74?PIJochims, Rasekh, et al., 1993LL
C5H3+19.7 ± 0.1C2H2+C3H3PIJochims, Rasekh, et al., 1992LL
C6H3+20.77 ± 0.01?EIVanBrunt and Wacks, 1964RDSH
C6H4+18.7 ± 0.12C2H2PIJochims, Rasekh, et al., 1992LL
C6H4+18.2 ± 0.15?EIVanBrunt and Wacks, 1964RDSH
C6H5+18.72?PIJochims, Rasekh, et al., 1993LL
C6H5+18.6 ± 0.1C2H2+C2HPIJochims, Rasekh, et al., 1992LL
C6H5+18.45 ± 0.05?EIVanBrunt and Wacks, 1964RDSH
C6H6+15.64C4H2PIJochims, Rasekh, et al., 1993LL
C6H6+15.7 ± 0.1C4H2PIJochims, Rasekh, et al., 1992LL
C6H6+15.20 ± 0.05?EIVanBrunt and Wacks, 1964RDSH
C7H3+20.66 ± 0.15C3H3+H2PIJochims, Rasekh, et al., 1992LL
C7H5+15.90C3H3PIJochims, Rasekh, et al., 1993LL
C7H5+16.1 ± 0.1C3H3PIJochims, Rasekh, et al., 1992LL
C8H5+19.00 ± 0.05C2H2+HPIJochims, Rasekh, et al., 1992LL
C8H5+18.07 ± 0.05?EIVanBrunt and Wacks, 1964RDSH
C8H6+15.50C2H2PIJochims, Rasekh, et al., 1993LL
C8H6+12.74C2H2EVALGotkis, Oleinikova, et al., 1993T = 0K; LL
C8H6+14.43C2H2TRPIGotkis, Oleinikova, et al., 1993LL
C8H6+15.4 ± 0.1C2H2PIJochims, Rasekh, et al., 1992LL
C8H6+15.4 ± 0.10C2H2EIVanBrunt and Wacks, 1964RDSH
C10H6+15.60 ± 0.05H2PIJochims, Rasekh, et al., 1992LL
C10H6+16.2 ± 0.15H2EIVanBrunt and Wacks, 1964RDSH
C10H7+15.41HPIJochims, Rasekh, et al., 1993LL
C10H7+12.37HEVALGotkis, Oleinikova, et al., 1993T = 0K; LL
C10H7+14.24HTRPIGotkis, Oleinikova, et al., 1993LL
C10H7+15.4 ± 0.1HPIJochims, Rasekh, et al., 1992LL
C10H7+15.4 ± 0.10HEIVanBrunt and Wacks, 1964RDSH

De-protonation reactions

C10H7- + Hydrogen cation = Naphthalene

By formula: C10H7- + H+ = C10H8

Quantity Value Units Method Reference Comment
Deltar394.2 ± 1.2kcal/molBranReed and Kass, 2000gas phase; B
Deltar394.2 ± 1.2kcal/molTDEqMeot-ner, Liebman, et al., 1988gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B
Deltar394.0 ± 5.0kcal/molCIDCLardin, Squires, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Deltar385.6 ± 1.3kcal/molH-TSReed and Kass, 2000gas phase; B
Deltar383.8 ± 1.2kcal/molTDEqMeot-ner, Liebman, et al., 1988gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B
Deltar385.4 ± 5.1kcal/molH-TSLardin, Squires, et al., 2001gas phase; B

C10H7- + Hydrogen cation = Naphthalene

By formula: C10H7- + H+ = C10H8

Quantity Value Units Method Reference Comment
Deltar395.5 ± 1.3kcal/molBranReed and Kass, 2000gas phase; B
Quantity Value Units Method Reference Comment
Deltar386.9 ± 1.4kcal/molH-TSReed and Kass, 2000gas 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, 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
B - John E. Bartmess

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

C6H7N+ + Naphthalene = (C6H7N+ bullet Naphthalene)

By formula: C6H7N+ + C10H8 = (C6H7N+ bullet C10H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar15.4kcal/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar26.cal/mol*KN/AEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
7.3324.PHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated; M

C10H8+ + Naphthalene = (C10H8+ bullet Naphthalene)

By formula: C10H8+ + C10H8 = (C10H8+ bullet C10H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar17.8kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar29.cal/mol*KPHPMSMeot-Ner (Mautner), 1980gas phase; M

C10H8NO- + 2Naphthalene = C20H16NO-

By formula: C10H8NO- + 2C10H8 = C20H16NO-

Quantity Value Units Method Reference Comment
Deltar23.8 ± 2.3kcal/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

C10H9+ + Naphthalene = (C10H9+ bullet Naphthalene)

By formula: C10H9+ + C10H8 = (C10H9+ bullet C10H8)

Quantity Value Units Method Reference Comment
Deltar14.1kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar30.cal/mol*KPHPMSMeot-Ner (Mautner), 1980gas phase; M

C12H8+ + Naphthalene = (C12H8+ bullet Naphthalene)

By formula: C12H8+ + C10H8 = (C12H8+ bullet C10H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar12.6kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar28.cal/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar5.1kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

C12H9+ + Naphthalene = (C12H9+ bullet Naphthalene)

By formula: C12H9+ + C10H8 = (C12H9+ bullet C10H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar13.9kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar28.cal/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar6.4kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

H2O3- + Naphthalene + Water = C10H10O3-

By formula: H2O3- + C10H8 + H2O = C10H10O3-

Quantity Value Units Method Reference Comment
Deltar37.8 ± 2.3kcal/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

H4O4- + Naphthalene + 2Water = C10H12O4-

By formula: H4O4- + C10H8 + 2H2O = C10H12O4-

Quantity Value Units Method Reference Comment
Deltar52.3 ± 2.3kcal/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

Nitric oxide anion + Naphthalene = C10H8NO-

By formula: NO- + C10H8 = C10H8NO-

Quantity Value Units Method Reference Comment
Deltar14.5 ± 2.3kcal/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

Oxygen anion + Naphthalene = C10H8O2-

By formula: O2- + C10H8 = C10H8O2-

Quantity Value Units Method Reference Comment
Deltar22.1 ± 2.3kcal/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

IR Spectrum

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

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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 Japan AIST/NIMC Database- Spectrum MS-NW-1434
NIST MS number 228342

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

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UVVis spectrum
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1.) Enter the desired X axis range (e.g., 100, 200)
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Additional Data

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Source Ferguson, Reeves, et al., 1957
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. 1174
Instrument Beckman DU
Melting point 80.2
Boiling point 217.9

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.

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]

Dorofeeva O.V., 1986
Dorofeeva O.V., On calculation of thermodynamic properties of polycyclic aromatic hydrocarbons, Thermochim. Acta, 1986, 102, 59-66. [all data]

Dorofeeva O.V., 1988
Dorofeeva O.V., Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons in the Gaseous Phase. Institute for High Temperatures, USSR Academy of Sciences, Preprint No.1-238 (in Russian), Moscow, 1988. [all data]

Barrow G.M., 1951
Barrow G.M., The thermodynamic properties of naphthalene, J. Am. Chem. Soc., 1951, 73, 573-575. [all data]

McClellan A.L., 1955
McClellan A.L., Vibrational assignment and thermodynamic properties of naphthalene, J. Chem. Phys., 1955, 23, 245-248. [all data]

Lielmezs J., 1981
Lielmezs J., Jr., Thermodynamic functions for naphthalene, Thermochim. Acta, 1981, 47, 287-308. [all data]

Chirico, Knipmeyer, et al., 1993
Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Steele, W.V., The thermodynamic properties to the temperature 700 K of naphthalene and of 2,7-dimethylnaphthalene, J. Chem. Thermodyn., 1993, 25, 1461-1494. [all data]

McCullough, Finke, et al., 1957
McCullough, J.P.; Finke, H.L.; Messerly, J.F.; Kincheloe, T.C.; Waddington, G., The low temperature thermodynamic properties of naphthalene, 1-methylnaphthalene, 2-methylnaphthalene, 1,2,3,4-tetrahydronaphthalene, trans-decahydronaphthalene and cis-decahydronaphthalene, J. Phys. Chem., 1957, 61, 1105-1116. [all data]

Southard and Brickwedde, 1933
Southard, J.C.; Brickwedde, F.G., Low temperature specific heats. I. An improved calorimeter for use from 14 to 300 K. The heat capacity and entropy of naphthalene. J. Am. Chem. Soc., 1933, 4378-4384. [all data]

Pearce and Tanner, 1934
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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]

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Spaght, Thomas, et al., 1932
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Andrews, Lynn, et al., 1926
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Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Steele, W.V., The thermodynamic properties to the temperature 700 K of naphthalene and of 2,7-dimethylnaphthalene, J. Chem. Thermodyn., 1993, 25, 1461-94. [all data]

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Chickos, James; Hesse, Donald; Hosseini, Sarah; Nichols, Gary; Webb, Paul, Sublimation enthalpies at 298.15K using correlation gas chromatography and differential scanning calorimetry measurements, Thermochimica Acta, 1998, 313, 2, 101-110, https://doi.org/10.1016/S0040-6031(97)00432-2 . [all data]

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de Kruif, C.G.; Kuipers, T.; van Miltenburg, J.C.; Schaake, R.C.F.; Stevens, G., The vapour pressure of solid and liquid naphthalene, The Journal of Chemical Thermodynamics, 1981, 13, 11, 1081-1086, https://doi.org/10.1016/0021-9614(81)90006-9 . [all data]

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Fowler, Lewis.; Trump, Walter N.; Vogler, Carl E., Vapor pressure of naphthalene. Measurements between 40.deg. and 180.deg., J. Chem. Eng. Data, 1968, 13, 2, 209-210, https://doi.org/10.1021/je60037a020 . [all data]

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Camin, David L.; Rossini, Frederick D., Physical Properties of Fourteen API Research Hydrocarbons, C 9 to C 15, J. Phys. Chem., 1955, 59, 11, 1173-1179, https://doi.org/10.1021/j150533a014 . [all data]

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Bock and Wagner, 1972
Bock, H.; Wagner, G., Electron lone pairs in organic sulfides and disulfides, Angew. Chem. Int. Ed. Engl., 1972, 11, 119. [all data]

Jochims, Rasekh, et al., 1993
Jochims, H.-W.; Rasekh, H.; Ruhl, E.; Baumgartel, H.; Leach, S., Deuterium isotope effects in the photofragmentation of naphthalene monocations, J. Phys. Chem., 1993, 97, 1312. [all data]

VanBrunt and Wacks, 1964
VanBrunt, R.J.; Wacks, M.E., Electron-impact studies of aromatic hydrocarbons. III. Azulene and naphthalene, J. Chem. Phys., 1964, 41, 3195. [all data]

Ferguson, Reeves, et al., 1957
Ferguson, J.; Reeves, L.W.; Schneider, W.G., Vapor absorption spectra and oscillator strengths of naphthalene, anthracene, and pyrene, Can. J. Chem., 1957, 35, 1117-1123. [all data]


Notes

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