1-Naphthalenol
- Formula: C10H8O
- Molecular weight: 144.1699
- IUPAC Standard InChIKey: KJCVRFUGPWSIIH-UHFFFAOYSA-N
- CAS Registry Number: 90-15-3
- 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: 1-Naphthol; α-Hydroxynaphthalene; α-Naphthol; Basf Ursol ERN; C.I. Oxidation Base 33; C.I. 76605; Durafur Developer D; Fouramine ERN; Fourrine ERN; Fourrine 99; Furro ER; Nako TRB; Tertral ERN; Ursol ERN; Zoba ERN; 1-Hydroxynaphthalene; NSC 9586
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Gas phase thermochemistry data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, 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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -30.8 ± 1.6 | kJ/mol | Ccb | Ribeiro Da Silva, Ribeiro Da Silva, et al., 1988 | Hs=91.2±0.4 kJ/mol; Colomina, Roux, et al., 1974; ALS |
ΔfH°gas | -29.9 ± 1.1 | kJ/mol | Ccb | Colomina, Roux, et al., 1974, 2 | ALS |
ΔfH°gas | -4.3 | kJ/mol | N/A | Pushin, 1954 | Value computed using ΔfHsolid° value of -95.4 kj/mol from Pushin, 1954 and ΔsubH° value of 91.1 kj/mol from Pushin, 1954.; DRB |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
37.44 | 50. | Kudchadker S.A., 1978 | GT |
53.10 | 100. | ||
73.93 | 150. | ||
98.14 | 200. | ||
136.34 | 273.15 | ||
149.44 | 298.15 | ||
150.40 | 300. | ||
199.15 | 400. | ||
239.47 | 500. | ||
271.50 | 600. | ||
297.01 | 700. | ||
317.66 | 800. | ||
334.68 | 900. | ||
348.91 | 1000. | ||
360.92 | 1100. | ||
371.14 | 1200. | ||
379.88 | 1300. | ||
387.41 | 1400. | ||
393.92 | 1500. |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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-NW-6154 |
NIST MS number | 228210 |
UV/Visible spectrum
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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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Additional Data
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Source | Ewing and Steck, 1946 |
---|---|
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. 535 |
Instrument | Beckman DU |
Melting point | 95 |
Boiling point | 288; 185(40) |
Gas Chromatography
Go To: Top, Gas phase thermochemistry 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-1 | 150. | 1517. | Zhang, Chen, et al., 1997 | 25. m/0.2 mm/0.33 μm, N2 |
Capillary | OV-1 | 130. | 1487. | Erdmann, Rochholz, et al., 1992 | |
Capillary | OV-1 | 160. | 1484. | Erdmann, Rochholz, et al., 1992 | |
Packed | SE-30 | 200. | 1517. | Sellier, Tersac, et al., 1981 | Column length: 2. m |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 1494. | Osselton and Snelling, 1986 | N2, Chromosorb W HP; Column length: 2. m; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SLB-5MS | 1510. | Mondello, Casilli, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 70. C; Tend: 300. C |
Capillary | SLB-5MS | 1517. | Mondello, Casilli, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 70. C; Tend: 300. C |
Capillary | OV-101 | 1473.7 | Ferchichi and Messadi, 1994 | 4. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C; Tend: 250. C |
Capillary | OV-101 | 1494.9 | Ferchichi and Messadi, 1994 | 4. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C; Tend: 250. C |
Capillary | DB-5 | 1516. | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | 5 % Phenyl methyl siloxane | 1504. | Yasuhara, Shiraishi, et al., 1997 | 25. m/0.31 mm/0.52 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min) |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1525. | Amorim, Dimandja, et al., 2009 | 30. m/0.25 mm/0.25 μm, Hydrogen, 70. C @ 0.5 min, 5. K/min, 280. C @ 17.5 min |
Capillary | Ultra-1 | 1464. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane, unknown content of Ph-groups | 1514. | Geldon, 1989 | Program: not specified |
Capillary | Polydimethyl siloxane, unknown content of Ph-groups | 1516. | Geldon, 1989 | Program: not specified |
Other | Methyl Silicone | 1490. | Ardrey and Moffat, 1981 | Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 259.66 | Pedersen, Durant, et al., 2005 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min |
Capillary | DB-5 | 258.48 | Williams and Horne, 1995 | He, 60. C @ 2. min, 5. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tend: 270. C |
Capillary | SPB-5 | 258.5 | Knobloch and Engewald, 1993 | 40. C @ 2. min, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 300. C |
Capillary | DB-5 | 258.80 | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
References
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ribeiro Da Silva, Ribeiro Da Silva, et al., 1988
Ribeiro Da Silva, M.A.V.; Ribeiro Da Silva, M.D.M.C.; Pilcher, G.,
Enthalpies of combustion of 1-hydroxynaphthalene, 2-hydroxynaphthalene, and 1,2-, 1,3-, 1,4-, and 2,3-dihydroxynaphthalenes,
J. Chem. Thermodyn., 1988, 20, 969-974. [all data]
Colomina, Roux, et al., 1974
Colomina, M.; Roux, M.V.; Turrion, C.,
Thermochemical properties of naphthalene compounds. I. Enthalpies of combustion and formation of the 1- and 2-naphthoic acids,
J. Chem. Thermodyn., 1974, 6, 149-155. [all data]
Colomina, Roux, et al., 1974, 2
Colomina, M.; Roux, M.V.; Turrion, C.,
Thermochemical properties of naphthalene compounds. II. Enthalpies of combustion and formation of the 1- and 2-naphthols,
J. Chem. Thermodyn., 1974, 6, 571-576. [all data]
Pushin, 1954
Pushin, N.A.,
Heats of combustion and heats of formation of isomeric organic compounds,
Bull. Soc. Chim. Belgrade, 1954, 19, 531-547. [all data]
Kudchadker S.A., 1978
Kudchadker S.A.,
Ideal gas thermodynamic properties of 1- and 2-naphthol,
J. Chem. Soc. Faraday Trans. 2, 1978, 74, 1515-1520. [all data]
Ewing and Steck, 1946
Ewing, G.W.; Steck, E.a.,
Absorption spectra of heterocyclic compounds. I. Quinolinols and isoquinolinols,
J. Am. Chem. Soc., 1946, 68, 2181-2187. [all data]
Zhang, Chen, et al., 1997
Zhang, M.; Chen, B.; Shen, S.; Chen, S.,
Compositional studies of high-temperature coal tar by g.c.-FT-i.r. analysis of middle oil fractions,
Fuel, 1997, 76, 5, 415-423, https://doi.org/10.1016/S0016-2361(97)85518-4
. [all data]
Erdmann, Rochholz, et al., 1992
Erdmann, F.; Rochholz, G.; Schütz, H.,
Retention-indices on OV-1 of approximately 170 commonly used pesticides,
Mikrochim. Acta, 1992, 106, 3-6, 219-226, https://doi.org/10.1007/BF01242093
. [all data]
Sellier, Tersac, et al., 1981
Sellier, F.; Tersac, G.; Guiochon, G.,
Étude de la polarité d'un poly(oxy aryl sulfonyl arylène) utilisé comme phase stationnaire en chromatographie gaz-liquide,
J. Chromatogr., 1981, 219, 2, 213-224, https://doi.org/10.1016/S0021-9673(00)87931-5
. [all data]
Osselton and Snelling, 1986
Osselton, M.D.; Snelling, R.D.,
Chromatographic Identification of Pesticides,
J. Chromatogr., 1986, 368, 265-271, https://doi.org/10.1016/S0021-9673(00)91068-9
. [all data]
Mondello, Casilli, et al., 2007
Mondello, L.; Casilli, A.; Tranchida, P.Q.; Presti, M.L.; Dugo, P.; Dugo, G.,
Comprehensive gas chromatography coupled to mass spectrometry for the separation of pesticides in a very complex matrix,
Anal. Bioanal. Chem., 2007, 389, 6, 1755-1763, https://doi.org/10.1007/s00216-007-1412-y
. [all data]
Ferchichi and Messadi, 1994
Ferchichi, L.; Messadi, D.,
Simulations de la rétention et de l'effecacité de colonne en chromatographie en phase gazeuse à température programmée: théorie et application,
Analusis, 1994, 22, 392-399. [all data]
Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E.,
Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603
. [all data]
Yasuhara, Shiraishi, et al., 1997
Yasuhara, A.; Shiraishi, H.; Nishikawa, M.; Yamamoto, T.; Uehiro, T.; Nakasugi, O.; Okumura, T.; Kenmotsu, K.; Fukui, H.; Nagase, M.; Ono, Y.; Kawagoshi, Y.; Baba, K.; Noma, Y.,
Determination of organic components in leachates from hazardous waste disposal sites in Japan by gas chromatography-mass spectrometry,
J. Chromatogr. A, 1997, 774, 1-2, 321-332, https://doi.org/10.1016/S0021-9673(97)00078-2
. [all data]
Amorim, Dimandja, et al., 2009
Amorim, L.C.A.; Dimandja, J.-M.; Cardeal, Z. de.L.,
Analysis of hydroxylated polycyclic aromatoc hydrocarbons in urine using comprehensive two-dimensional gas chromatography with a flame ionization detector,
J. Chromatogr. A., 2009, 1216, 14, 2900-2904, https://doi.org/10.1016/j.chroma.2008.11.012
. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Geldon, 1989
Geldon, A.L.,
Ground Water Hydrology of the Central Raton Basin, Colorado and New Mexico, US Geological Survey, US Government Printing Office, 1989, 104. [all data]
Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase,
J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1
. [all data]
Pedersen, Durant, et al., 2005
Pedersen, D.U.; Durant, J.L.; Taghizadeh, K.; Hemond, H.F.; Lafleur, A.L.; Cass, G.R.,
Human cell mutagenes in respirable airborne particles from the Northeastern United States. 2. Quantification of mutagenes and other organic compounds.,
Environ. Sci. Technol., 2005, 39, 24, 9547-9560, https://doi.org/10.1021/es050886c
. [all data]
Williams and Horne, 1995
Williams, P.T.; Horne, P.A.,
Analysis of aromatic hydrocarbons in pyrolytic oil derived from biomass,
J. Anal. Appl. Pyrolysis, 1995, 31, 15-37, https://doi.org/10.1016/0165-2370(94)00814-H
. [all data]
Knobloch and Engewald, 1993
Knobloch, T.; Engewald, W.,
Identification of some polar polycyclic compounds in emissions from brown-coal-fired residential stoves,
J. Hi. Res. Chromatogr., 1993, 16, 4, 239-242, https://doi.org/10.1002/jhrc.1240160407
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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