2,6-Naphthalenedicarboxylic acid, dimethyl ester

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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-132.7 ± 1.5kcal/molCcrSteele, Chirico, et al., 1991ΔHfusion = 41.7±3.0 kJ/mol

Condensed 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfsolid-166.47 ± 0.32kcal/molCcrSteele, Chirico, et al., 1991ΔHfusion = 41.7±3.0 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Δcsolid-1560.14 ± 0.28kcal/molCcrSteele, Chirico, et al., 1991ΔHfusion = 41.7±3.0 kJ/mol; Corresponding Δfsolid = -166.47 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
67.83298.15N/AT = 310 to 670 K. C/R(c) = 0.0960T + 5.51 (310 to 464.5 K); C/R(liq) = 0.0635T + 26.29 (464.5 to 670 K), R = 8.31451 J/mol*K.; 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus464.5KN/ASteele, Chirico, et al., 1991, 2Uncertainty assigned by TRC = 0.7 K; TRC
Tfus464.4KN/ADozen, Fujishima, et al., 1978Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Δsub33.80kcal/molN/ASteele, Chirico, et al., 1991DRB

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
12.739464.5N/ADH

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:


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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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 Japan AIST/NIMC Database- Spectrum MS-IW-2495
NIST MS number 235172

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.


Gas Chromatography

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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

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryUltra-ALLOY-52118.Tsuge, Ohtan, et al., 201130. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min

References

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

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

Steele, Chirico, et al., 1991
Steele, W.V.; Chirico, R.D.; Nguyen, A.; Hossenlopp, I.A.; Smith, N.K., DIPPR PROJECT 871: Determination of ideal-gas enthalpies of formation for key compounds: The 1989 project results, J. Chem. Thermodyn., 1991, 101-134. [all data]

Steele, Chirico, et al., 1991, 2
Steele, W.V.; Chirico, R.D.; Nguyen, A.; Hossenlopp, I.A.; Smith, N.K., DIPPR Project 871: determination of ideal-gas enthalpies of formation for key compounds: the 1989 project results in DIPPR Data Ser. 1, 1991. [all data]

Dozen, Fujishima, et al., 1978
Dozen, Y.; Fujishima, S.; Shingu, H., Structures and fusion parameters of methoxycarbonyl-benzenes and -naphthalenes, Thermochim. Acta, 1978, 25, 2, 209, https://doi.org/10.1016/0040-6031(78)85008-4 . [all data]

Tsuge, Ohtan, et al., 2011
Tsuge, S.; Ohtan, H.; Watanabe, C., Pyrolysis - GC/MS Data Book of Synthetic Polymers, Elsevier, 2011, 420. [all data]


Notes

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