1-Naphthalenol, acetate
- Formula: C12H10O2
- Molecular weight: 186.2066
- IUPAC Standard InChIKey: VGKONPUVOVVNSU-UHFFFAOYSA-N
- CAS Registry Number: 830-81-9
- 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, acetate; α-Naphthyl acetate; A-naphthyl acetate; Naphthalene, 1-acetoxy-; 1-Acetoxynaphthalene; 1-Naphthyl acetate
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -72.89 ± 0.27 | kcal/mol | Ccb | Colomina, Roux, et al., 1975 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1383.9 ± 1.4 | kcal/mol | Ccb | Balcan, Arzik, et al., 1996 | Corresponding ΔfHºsolid = -86.27 kcal/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°solid | -1397.30 ± 0.27 | kcal/mol | Ccb | Colomina, Roux, et al., 1975 | Corresponding ΔfHºsolid = -72.885 kcal/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°solid | -1401.2 ± 1.8 | kcal/mol | Ccb | Leman and Lepoutre, 1948 | Corresponding ΔfHºsolid = -68.96 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 319. | K | N/A | Khetarpal, Lal, et al., 1981 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 22.7 ± 0.1 | kcal/mol | GS | VEREVKIN, ROUX, et al., 2003 | Based on data from 286. to 317. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
4.830 | 319.2 | Bystrom, 1981 | AC |
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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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-3887 |
NIST MS number | 229657 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Colomina, Roux, et al., 1975
Colomina, M.; Roux, M.V.; Turrion, C.,
Thermochemical properties of naphthalene compounds III. Enthalpies of combustion and formation of the 1- and 2-naphthylacetic acids and 1- and 2-naphthyl acetates,
J. Chem. Thermodyn., 1975, 7, 759-762. [all data]
Balcan, Arzik, et al., 1996
Balcan, M.; Arzik, S.; Altunata, T.,
The determination of the heats of combustion and the resonance energies of some substituted naphthalenes,
Thermochim. Acta, 1996, 278, 49-56. [all data]
Leman and Lepoutre, 1948
Leman, A.; Lepoutre, G.,
Chaleurs de combustion des naphtols,
C. R. Acad. Sci. Paris, 1948, 226, 1976-19. [all data]
Khetarpal, Lal, et al., 1981
Khetarpal, S.C.; Lal, K.; Bhatnagar, H.L.,
Indian J. Chem., 1981, 446. [all data]
VEREVKIN, ROUX, et al., 2003
VEREVKIN, SERGEY P.; ROUX, MARIA VICTORIA; NOTARIO, RAFAEL; DEMASTERS, DOUGLAS E.; LIEBMAN, JOEL F.,
The energetics of naphthalene derivatives. II. The isomeric 1--- and 2---naphthyl acetates,
Molecular Physics, 2003, 101, 21, 3231-3237, https://doi.org/10.1080/00268970310001620195
. [all data]
Bystrom, 1981
Bystrom, K.,
Enthalpies of combustion, vaporization, and formation for di-n-propyldiazene N-oxide and di-t-butyldiazene N-oxide,
J. Chem. Thermodyn., 1981, 13, 139-145. [all data]
Notes
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- Symbols used in this document:
Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid 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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