Pentane, 1,4-dibromo-
- Formula: C5H10Br2
- Molecular weight: 229.941
- IUPAC Standard InChIKey: CNBFRBXEGGRSPL-UHFFFAOYSA-N
- CAS Registry Number: 626-87-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1,4-Dibromopentane
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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°liquid | -173.2 | kJ/mol | Eqk | Rozhnov, Alenin, et al., 1974 |
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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
371.7 | 0.033 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
51.8 | 392. | A | Stephenson and Malanowski, 1987 | Based on data from 377. to 524. K. See also Dykyj, 1972.; AC |
Reaction 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: C5H10Br2 = C5H10Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.5 ± 0.08 | kJ/mol | Eqk | Rozhnov, Nesterova, et al., 1974 | liquid phase; Heat of isomerization |
By formula: C5H10Br2 = C5H10Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -10. ± 3. | kJ/mol | Eqk | Rozhnov, Nesterova, et al., 1974 | liquid phase; Heat of isomerization |
By formula: C5H10Br2 = C5H10Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.02 | kJ/mol | Eqk | Rozhnov, Alenin, et al., 1974, 2 | liquid phase |
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-1055 |
NIST MS number | 230700 |
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, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Apiezon L | 130. | 1113. | Arruda, Junkes, et al., 2008 |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1103. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Rozhnov, Alenin, et al., 1974
Rozhnov, A.M.; Alenin, V.I.; Nesterova, T.N.,
Equilibrium in the isomerisation of dibromoalkanes. IV. Isomerisation of dibromohexanes and heats of formation of certain C5-C10 dibromoalkanes,
Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 1701-1702. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]
Dykyj, 1972
Dykyj, J.,
Petrochemia, 1972, 12, 1, 13. [all data]
Rozhnov, Nesterova, et al., 1974
Rozhnov, A.M.; Nesterova, T.N.; Alenin, V.I.; Uskova, L.A.,
Equilibria in the isomerisation of dibromoalkanes. I. Isomerisation of 1,2-, 1,3-, 1,4-, and 1,5-dibromopentanes,
Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 1268, In original 2136. [all data]
Rozhnov, Alenin, et al., 1974, 2
Rozhnov, A.M.; Alenin, V.I.; Nesterova, T.N.; Nedoshivina, A.E.,
The isomerisation equilibria of dibromoalkanes. III. Isomerisation of 1,4-, 2,3-, and 2,4-dibromopentanes,
Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 1114. [all data]
Arruda, Junkes, et al., 2008
Arruda, A.C.S.; Junkes, B. da.S.; Souza, E.S.; Yunes, R.A.; Heizen, V.E.F.,
Semi-Emlirical Topological Index to Predict Properties of Halogenated Aliphatic Compounds,
J. Chemometrics, 2008, 22, 3-4, 186-194, https://doi.org/10.1002/cem.1121
. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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