1,3-Butadiyne
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1,3-Butadiyne
structure -
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CAS No:
460-12-8
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Formula:
C4H2
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Chemical Name:
1,3-Butadiyne
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Synonyms:
1,3-Butadiyne;Butadiyne;Biacetylene;Biethynyl;Diacetylene
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CAS No:
Description
gas
Diacetylene (also known as butadiyne) is the organic compound with the formula (C2H)2. It is the simplest compound containing two triple bonds. It is first in the series of polyynes, which are of theoretical but not of practical interest.
Buta-1,3-diyne is an alkadiyne and a terminal acetylenic compound.
Characteristics
0
0.25280
gas
0.7364 g/cm3 @ Temp: 0 °C
-36.4 °C
10.3 °C
1.436
1g/L(25 ºC)
1.32e+03 mmHg
1.89e-11 cm3/molecule*sec
Diacetylene (1,3-butadiyne)|B: Compounds that form peroxides on concentration (distillation/evaporation)|Kelly|Many studies regarding the potential for explosion, especially in industrial processes. See Bretherick's for individual studies.|Armitage, J. B. et al., J. Chem. Soc., 1951, 44
Safety Information
2.1
UN 3161
Stability Highly flammable. Readily forms explosive mixtures with air. May form peroxides in storage.
UN 3161
Analysis Methods
| Name | Column Shape | Active Phase(℃) | Retention index | Temperature Control | Method | Comments | Reference |
|---|---|---|---|---|---|---|---|
| Kovats' RI, non-polar column, isothermal | Capillary | CP Sil 5 CB | 431. | 20. | isothermal | 25. m/0.15 mm/2. μm, H2 | Do, L.Raulin, F.Gas chromatography of Titan's atmosphere. III. Analysis of low-molecular-weight hydrocarbons and nitriles with a CP-Sil-5 CB WCOT capillary columnJ. Chromatogr.1992, 591, 1-2, 297-301. |
| Kovats' RI, non-polar column, isothermal | Capillary | DB-1 | 445. | temperature ramp | 60. m/0.32 mm/1. μm, -50. C @ 4. min, 6. K/min; Tend: 180. C | Kaiser, E.W.Siegl, W.O.High resolution gas chromatographic determination of the atmospheric reactivity of engine-out hydrocarbon emissions from a spark-ignited engineJ. Hi. Res. Chromatogr.1994, 17, 4, 264-270. | |
| Kovats' RI, non-polar column, isothermal | Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 428. | temperature ramp | 60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min | Bramston-Cook, R.Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns2013, retrieved from http://lotusinstruments.com/monographs/List .... | |
| Kovats' RI, non-polar column, isothermal | Capillary | OV-101 | 430. | temperature ramp | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C | Zenkevich, I.G.Experimentally measured retention indices.2005. |
Computed Properties
Molecular Weight:50.06
XLogP3:0.8
Rotatable Bond Count:1
Exact Mass:50.0156500638
Monoisotopic Mass:50.0156500638
Heavy Atom Count:4
Complexity:67.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes