1-Propyne, 3-chloro-
- Formula: C3H3Cl
- Molecular weight: 74.509
- IUPAC Standard InChI: InChI=1S/C3H3Cl/c1-2-3-4/h1H,3H2
- IUPAC Standard InChIKey: LJZPPWWHKPGCHS-UHFFFAOYSA-N
- CAS Registry Number: 624-65-7
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Propyne, 3-chloro-; Propargyl chloride; 2-Propynyl chloride; 3-Chloro-1-propyne; 3-Chloropropyne; CH2ClC≡CH
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Vibrational and/or electronic energy levels
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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: Takehiko Shimanouchi
Symmetry: Cs Symmetry Number σ = 1
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a' | 1 | CH str | 3335 | C | 3335 VS | gas | 3305 p | liq. | ||
| a' | 2 | CH2 s-str | 2968 | C | 2968 M | gas | 2957 p | liq. | ||
| a' | 3 | C≡C str | 2147 | C | 2147 W | gas | 2130 p | liq. | ||
| a' | 4 | CH2 scis | 1441 | C | 1441 M | gas | 1432 p | liq. | ||
| a' | 5 | CH2 wag | 1271 | C | 1271 VS | gas | 1267 p | liq. | ||
| a' | 6 | C-C str | 960 | C | 960 S | gas | 961 dp | liq. | ||
| a' | 7 | CCl str | 725 | C | 725 VS | gas | 713 p | liq. | ||
| a' | 8 | CH bend | 650 | D | 650 S | solid solid | 650 | liq. | ||
| a' | 9 | CCCl deform | 451 | C | 451 | gas | 452 p | liq. | ||
| a' | 10 | CCC deform | 186 | D | 186 dp | liq. | ||||
| a | 11 | CH2 a-str | 3002 | C | 3002 M | gas | 2995 dp | liq. | ||
| a | 12 | CH2 twist | 1179 | B | 1179 W | gas | 1174 dp | liq. | ||
| a | 13 | CH2 rock | 908 | D | 908 dp | liq. | ||||
| a | 14 | CH bend | 637 | D | 637 M | gas | 650 dp | liq. | ||
| a | 15 | CCC deform | 311 | C | 311 dp | liq. | ||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| p | Polarized |
| dp | Depolarized |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
References
Go To: Top, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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