Octane, 1-bromo-
- Formula: C8H17Br
- Molecular weight: 193.125
- IUPAC Standard InChIKey: VMKOFRJSULQZRM-UHFFFAOYSA-N
- CAS Registry Number: 111-83-1
- 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: n-Octyl bromide; Octyl bromide; 1-Bromooctane; 1-Octylbromide
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Phase change data
Go To: Top, IR Spectrum, 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 474. | K | N/A | Farchan Laboratories, 1990 | BS |
Tboil | 474.0 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 474. | K | N/A | American Tokyo Kasei, 1988 | BS |
Tboil | 474. | K | N/A | Kazanskii, Liberman, et al., 1947 | Uncertainty assigned by TRC = 6. K; TRC |
Tboil | 471. | K | N/A | Kamm and Marvel, 1920 | Uncertainty assigned by TRC = 5. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 218.2 | K | N/A | Crowe and Smyth, 1950 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 13.33 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 13.2 | kcal/mol | CGC | Chickos, Hosseini, et al., 1995 | Based on data from 323. to 363. K.; AC |
ΔvapH° | 13.33 ± 0.060 | kcal/mol | C | Mansson, Sellers, et al., 1977 | ALS |
ΔvapH° | 13.3 ± 0.02 | kcal/mol | C | Stridh, 1976 | See also Månsson, Sellers, et al., 1977.; AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
11.8 | 388. | A,EST | Stephenson and Malanowski, 1987 | Based on data from 373. to 475. K. See also Li and Rossini, 1961 and Dykyj and Vanko, 1970.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
5.901 | 218.2 | Crowe and Smyth, 1950, 2 | AC |
IR Spectrum
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
- LIQUID; Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY
4, 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Phase change data, IR 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
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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 | Chemical Concepts |
NIST MS number | 187509 |
References
Go To: Top, Phase change data, IR Spectrum, 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.
Farchan Laboratories, 1990
Farchan Laboratories,
Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
American Tokyo Kasei, 1988
American Tokyo Kasei,
TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]
Kazanskii, Liberman, et al., 1947
Kazanskii, B.A.; Liberman, A.L.; Plate, A.F.; Rozengart, M.I.; Tarasova, G.A.,
Synthesis and Properties of Some 1-Alkenes,
Zh. Obshch. Khim., 1947, 17, 1503. [all data]
Kamm and Marvel, 1920
Kamm, O.; Marvel, C.S.,
Organic Chemical Reagents V. The Prep. of Alkyl and Alkylene Bromides,
J. Am. Chem. Soc., 1920, 42, 299. [all data]
Crowe and Smyth, 1950
Crowe, R.W.; Smyth, C.P.,
Thermal and Dielectric Evidence of Polymorphism in Some Long-Chain n-Alkyl Bromides,
J. Am. Chem. Soc., 1950, 72, 3, 1098, https://doi.org/10.1021/ja01159a011
. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G.,
Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times,
Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3
. [all data]
Mansson, Sellers, et al., 1977
Mansson, M.; Sellers, P.; Stridh, G.; Sunner, S.,
Enthalpies of vaporization of some 1-substituted n-alkanes,
J. Chem. Thermodyn., 1977, 9, 91. [all data]
Stridh, 1976
Stridh, G.,
Enthalpies of formation of 1-bromododecane and 1-bromohexadecane and the CH2-increment in the 1-bromoalkane series,
J. Chem. Thermodyn., 1976, 8, 901-906. [all data]
Månsson, Sellers, et al., 1977
Månsson, M.; Sellers, P.; Stridh, G.; Sunner, S.,
Enthalpies of vaporization of some 1-substituted n-alkanes,
The Journal of Chemical Thermodynamics, 1977, 9, 1, 91-97, https://doi.org/10.1016/0021-9614(77)90202-6
. [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]
Li and Rossini, 1961
Li, J.C.M.; Rossini, F.D.,
Vapor Pressures and Boiling Points of the l-Fluoroalkanes, l-Chloroalkanes, l-Bromoalkanes, and l-Iodoalkanes, C 1 to C 20 .,
J. Chem. Eng. Data, 1961, 6, 2, 268-270, https://doi.org/10.1021/je60010a025
. [all data]
Dykyj and Vanko, 1970
Dykyj, J.; Vanko, A.,
Petrochemica, 1970, 10, 1, 3. [all data]
Crowe and Smyth, 1950, 2
Crowe, Robert W.; Smyth, Charles P.,
Thermal and Dielectric Evidence of Polymorphism in Some Long-Chain n-Alkyl Bromides 1,
J. Am. Chem. Soc., 1950, 72, 3, 1098-1106, https://doi.org/10.1021/ja01159a011
. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfusH Enthalpy 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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