2,6-Naphthalenedicarboxylic acid, dimethyl ester
- Formula: C14H12O4
- Molecular weight: 244.2427
- IUPAC Standard InChIKey: GYUVMLBYMPKZAZ-UHFFFAOYSA-N
- CAS Registry Number: 840-65-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Dimethyl 2,6-naphthalenedicarboxylate; Dimethyl naphthalene-2,6-dicarboxylate; 2,6-Dicarbomethoxynaphthalene; Naphthalene-2,6-dicarboxylic acid, dimethyl ester; Dimethyl ester of 2,6-naphthalenedicarboxylic acid
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Gas phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -555.1 ± 6.1 | kJ/mol | Ccr | Steele, Chirico, et al., 1991 | ΔHfusion = 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 |
---|---|---|---|---|---|
ΔfH°solid | -696.5 ± 1.3 | kJ/mol | Ccr | Steele, Chirico, et al., 1991 | ΔHfusion = 41.7±3.0 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -6527.6 ± 1.2 | kJ/mol | Ccr | Steele, Chirico, et al., 1991 | ΔHfusion = 41.7±3.0 kJ/mol; Corresponding ΔfHºsolid = -696.51 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
283.8 | 298.15 | N/A | T = 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 |
---|---|---|---|---|---|
Tfus | 464.5 | K | N/A | Steele, Chirico, et al., 1991, 2 | Uncertainty assigned by TRC = 0.7 K; TRC |
Tfus | 464.4 | K | N/A | Dozen, Fujishima, et al., 1978 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 141.4 | kJ/mol | N/A | Steele, Chirico, et al., 1991 | DRB |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
53.300 | 464.5 | N/A | DH |
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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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 |
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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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 |
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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Ultra-ALLOY-5 | 2118. | Tsuge, Ohtan, et al., 2011 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min |
References
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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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- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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