Naphthalene, 1-methyl-
- Formula: C11H10
- Molecular weight: 142.1971
- IUPAC Standard InChIKey: QPUYECUOLPXSFR-UHFFFAOYSA-N
- CAS Registry Number: 90-12-0
- 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: α-Methylnaphthalene; 1-Methylnaphthalene; Methyl-1-naphthalene
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Gas phase thermochemistry data
Go To: Top, Phase change data, 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 as indicated in comments:
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 |
---|---|---|---|---|---|
ΔfH°gas | 116.9 ± 2.7 | kJ/mol | Ccb | Speros and Rossini, 1960 | ALS |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
39.1 | 50. | Thermodynamics Research Center, 1997 | p=1 bar.; GT |
59.1 | 100. | ||
81.1 | 150. | ||
105.9 | 200. | ||
145.6 | 273.15 | ||
159.3 | 298.15 | ||
160.4 | 300. | ||
212.3 | 400. | ||
256.2 | 500. | ||
291.8 | 600. | ||
320.7 | 700. | ||
344.5 | 800. | ||
364.3 | 900. | ||
381.0 | 1000. | ||
395. | 1100. | ||
407. | 1200. | ||
418. | 1300. | ||
426. | 1400. | ||
434. | 1500. |
Phase change data
Go To: Top, Gas phase thermochemistry data, 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 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.
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 515. ± 7. | K | AVG | N/A | Average of 30 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 244. ± 9. | K | AVG | N/A | Average of 27 out of 28 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 242.6600 | K | N/A | McCullough, Finke, et al., 1957 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; for sample crystalized rapidly without forming C2; TRC |
Ttriple | 242.6600 | K | N/A | McCullough, Finke, et al., 1957 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.03 K; after forming C2 and then C1; TRC |
Ttriple | 242.6900 | K | N/A | McCullough, Finke, et al., 1957 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; after forming C2 and then C1; TRC |
Ttriple | 242.7000 | K | N/A | McCullough, Finke, et al., 1957 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.03 K; for sample crystalized rapidly without forming C2; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 772. ± 1. | K | N/A | Tsonopoulos and Ambrose, 1995 | |
Tc | 772. | K | N/A | Wilson, Johnston, et al., 1981 | Uncertainty assigned by TRC = 1. K; TRC |
Tc | 772. | K | N/A | Ambrose, 1963 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tc | 273.15 | K | N/A | Ambrose, Cox, et al., 1960 | Uncertainty assigned by TRC = 2.72 K; Visual, PRT, IPTS-48, rapid decomp and no value obtained sample; TRC |
Tc | 784.0 | K | N/A | Glaser and Ruland, 1957 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 36. ± 1. | bar | N/A | Tsonopoulos and Ambrose, 1995 | |
Pc | 36.00 | bar | N/A | Wilson, Johnston, et al., 1981 | Uncertainty assigned by TRC = 1.00 bar; TRC |
Pc | 43.5698 | bar | N/A | Glaser and Ruland, 1957 | Uncertainty assigned by TRC = 1.5199 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 59. ± 10. | kJ/mol | AVG | N/A | Average of 8 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
50.0 | 500. | N/A | Lee, Dempsey, et al., 1992 | Based on data from 485. to 595. K.; AC |
63.3 | 274. | N/A | Sasse, Jose, et al., 1988 | Based on data from 259. to 388. K.; AC |
57.5 | 293. | A,GS | Stephenson and Malanowski, 1987 | Based on data from 278. to 313. K. See also Macknick and Prausnitz, 1979.; AC |
52.3 | 430. | A,GS | Stephenson and Malanowski, 1987 | Based on data from 415. to 526. K. See also Camin and Rossini, 1955.; AC |
49.6 | 455. | N/A | Wieczorek and Kobayashi, 1981 | Based on data from 424. to 536. K.; AC |
45.9 | 525. | N/A | Wieczorek and Kobayashi, 1981 | Based on data from 424. to 536. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference |
---|---|---|---|---|
415.29 to 518.48 | 4.16082 | 1826.948 | -78.148 | Camin and Rossini, 1955 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.95 | 242.7 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
20.69 | 240.7 | Domalski and Hearing, 1996 | CAL |
28.62 | 242.7 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
4.979 | 240.70 | crystaline, II | crystaline, I | McCullough, Finke, et al., 1957, 2 | DH |
6.945 | 242.70 | crystaline, I | liquid | McCullough, Finke, et al., 1957, 2 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
20.68 | 240.70 | crystaline, II | crystaline, I | McCullough, Finke, et al., 1957, 2 | DH |
28.62 | 242.70 | crystaline, I | liquid | McCullough, Finke, et al., 1957, 2 | DH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, 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 | NIST Mass Spectrometry Data Center, 1998. |
NIST MS number | 291511 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, 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.
Speros and Rossini, 1960
Speros, D.M.; Rossini, F.D.,
Heats of combustion and formation of naphthalene, the two methylnaphthalenes, cis and trans decahydronaphthalene and related compounds,
J. Phys. Chem., 1960, 64, 1723-1727. [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]
McCullough, Finke, et al., 1957
McCullough, J.P.; Finke, H.L.; Messerly, J.F.; Todd, S.S.; Kincheloe, T.C.; Waddington, G.,
The Low-Temperature Thermodynamic Properties of Naphthalene, 1-Methylnaphthalene, 2-Methylnaphthalene, 1,2,3,4-tetrahydro- naphthalene, trans-decahydronaphthalene and cis-Decahydronaphthalene,
J. Phys. Chem., 1957, 61, 1105. [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]
Wilson, Johnston, et al., 1981
Wilson, Grant M.; Johnston, Robert H.; Hwang, Shuen-Cheng.; Tsonopoulos, Constantine.,
Volatility of coal liquids at high temperatures and pressures,
Ind. Eng. Chem. Proc. Des. Dev., 1981, 20, 1, 94-104, https://doi.org/10.1021/i200012a015
. [all data]
Ambrose, 1963
Ambrose, D.,
Critical Temperatures of Some Phenols and Other Organic Compounds,
Trans. Faraday Soc., 1963, 59, 1988. [all data]
Ambrose, Cox, et al., 1960
Ambrose, D.; Cox, J.D.; Townsend, R.,
The critical temperatures of forty organic compounds,
Trans. Faraday Soc., 1960, 56, 1452. [all data]
Glaser and Ruland, 1957
Glaser, F.; Ruland, H.,
Untersuchungsen über dampfdruckkurven und kritische daten einiger technisch wichtiger organischer substanzen,
Chem. Ing. Techn., 1957, 29, 772. [all data]
Lee, Dempsey, et al., 1992
Lee, Chang Ha; Dempsey, Dennis M.; Mohamed, Rahoma S.; Holder, Gerald D.,
Vapor-liquid equilibria in the systems of n-decane/tetralin, n-hexadecane/tetralin, n-decane/1-methylnaphthalene, and 1-methylnaphthalene/tetralin,
J. Chem. Eng. Data, 1992, 37, 2, 183-186, https://doi.org/10.1021/je00006a012
. [all data]
Sasse, Jose, et al., 1988
Sasse, Karim; Jose, Jacques; Merlin, Jean-Claude,
A static apparatus for measurement of low vapor pressures. Experimental results on high molecular-weight hydrocarbons,
Fluid Phase Equilibria, 1988, 42, 287-304, https://doi.org/10.1016/0378-3812(88)80065-7
. [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]
Macknick and Prausnitz, 1979
Macknick, A. Brian; Prausnitz, John M.,
Vapor pressures of high-molecular-weight hydrocarbons,
J. Chem. Eng. Data, 1979, 24, 3, 175-178, https://doi.org/10.1021/je60082a012
. [all data]
Camin and Rossini, 1955
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]
Wieczorek and Kobayashi, 1981
Wieczorek, Stefan A.; Kobayashi, Riki,
Vapor-pressure measurements of 1-methylnaphthalene, 2-methylnaphthalene, and 9,10-dihydrophenanthrene at elevated temperatures,
J. Chem. Eng. Data, 1981, 26, 1, 8-11, https://doi.org/10.1021/je00023a005
. [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]
McCullough, Finke, et al., 1957, 2
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]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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