Naphthalene, 1,2-dihydro-

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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 (cal/mol*K) Temperature (K) Reference Comment
9.10650.Dorofeeva O.V., 1988Recommended values were calculated statistically mechanically using force field approximation for polycyclic aromatic hydrocarbons to estimate the needed vibrational frequencies (see also [ Dorofeeva O.V., 1986]). These functions are reproduced in the reference book [ Frenkel M., 1994].
12.47100.
16.86150.
22.15200.
30.958273.15
34.10 ± 0.48298.15
34.328300.
46.429400.
56.814500.
65.282600.
72.170700.
77.835800.
82.553900.
86.5201000.
89.8781100.
92.7371200.
95.1791300.
97.2801400.
99.0921500.

Phase change data

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

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δvap13.1 ± 0.02kcal/molIP,EBChirico and Steele, 2008AC
Δvap12.4 ± 0.1kcal/molGSVerevkin, 1999Based on data from 274. to 319. K.; AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
362.20.021Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
12.8 ± 0.02320.IP,EBChirico and Steele, 2008AC
12.1 ± 0.02360.IP,EBChirico and Steele, 2008AC
11.6 ± 0.02400.IP,EBChirico and Steele, 2008AC
11.0 ± 0.02440.IP,EBChirico and Steele, 2008AC
12.4 ± 0.1296.GSVerevkin, 1999Based on data from 274. to 319. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
2.517264.4ACChirico and Steele, 2008Authors report two solid/solid phase transitions having negligible enthalpy of transition; AC

Reaction 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: 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

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

By formula: H2 + C10H10 = C10H12

Quantity Value Units Method Reference Comment
Δr-24.10 ± 0.20kcal/molChydWilliams, 1942liquid phase; solvent: Acetic acid; At 302 K

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 compiled as indicated in comments:
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

View reactions leading to C10H10+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.14EIDass and Gross, 1983LBLHLM
8.0EIKoppel, Schwarz, et al., 1974LLK

IR Spectrum

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

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 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
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, 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 Japan AIST/NIMC Database- Spectrum MS-NW-3089
NIST MS number 229757

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References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Notes

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

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]

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

Frenkel M., 1994
Frenkel M., Thermodynamics of Organic Compounds in the Gas State, Vol. I, II, Thermodynamics Research Center, College Station, Texas, 1994, 1994. [all data]

Chirico and Steele, 2008
Chirico, Robert D.; Steele, William V., Thermodynamic properties of 1,2-dihydronaphthalene: Glassy crystals and missing entropy, The Journal of Chemical Thermodynamics, 2008, 40, 5, 806-817, https://doi.org/10.1016/j.jct.2008.01.009 . [all data]

Verevkin, 1999
Verevkin, Sergey P., Thermochemical investigation on α-methyl-styrene and parent phenyl substituted alkenes, Thermochimica Acta, 1999, 326, 1-2, 17-25, https://doi.org/10.1016/S0040-6031(98)00585-1 . [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Williams, 1942
Williams, R.B., Heats of catalytic hydrogenation in solution. I. Apparatus, technique, and the heats of hydrogenation of certain pairs of stereoisomers, J. Am. Chem. Soc., 1942, 64, 1395-1404. [all data]

Dass and Gross, 1983
Dass, C.; Gross, M.L., Electrocyclic ring opening of 1-phenylcyclobutene and 3-phenylcyclobutene radical cations, J. Am. Chem. Soc., 1983, 105, 5724. [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]


Notes

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