1-Butene, 3-chloro-
- Formula: C4H7Cl
- Molecular weight: 90.551
- IUPAC Standard InChI: InChI=1S/C4H7Cl/c1-3-4(2)5/h3-4H,1H2,2H3
- IUPAC Standard InChIKey: VZGLVCFVUREVDP-UHFFFAOYSA-N
- CAS Registry Number: 563-52-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: α-Methallyl chloride; α-Methylallyl chloride; γ-Chloro-α-butylene; 3-Chloro-1-butene; 1-Methylallyl chloride; 2-Chloro-3-butene; 3-chlorobut-1-ene
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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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 337. ± 2. | K | AVG | N/A | Average of 8 values; Individual data points |
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
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Individual Reactions
=
By formula: C4H7Cl = C4H7Cl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -17. | kJ/mol | Eqk | Levanova, Rodova, et al., 1975 | gas phase |
=
By formula: C4H7Cl = C4H7Cl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -4. | kJ/mol | Eqk | Levanova, Rodova, et al., 1975 | gas phase |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 576. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Levanova, Rodova, et al., 1975
Levanova, S.V.; Rodova, R.M.; Shevtsova, L.A.; Rozhnov, A.M.,
Isomerisation of chlorobutenes,
Russ. J. Phys. Chem. (Engl. Transl.), 1975, 49, 41-43. [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 ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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