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| CAS No.: | 871-84-1 |
|---|---|
| Name: | 1,7-Octadiyne |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C8H10 |
| Molecular Weight: | 106.167 |
| Synonyms: | NSC 35135;Octa-1,7-diyne; |
| EINECS: | 212-815-0 |
| Density: | 0.828 g/cm3 |
| Melting Point: | 27°C (estimate) |
| Boiling Point: | 135.7 °C at 760 mmHg |
| Flash Point: | 23.3 °C |
| Appearance: | clear colorless to faintly yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36/37/39 |
| Transport Information: | UN 3295 3/PG 3 |
| PSA: | 0.00000 |
| LogP: | 1.81320 |
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Specification
The CAS register number of 1,7-Octadiyne is 871-84-1. It also can be called as Octa-1,7-diyne and the IUPAC name about this chemical is octa-1,7-diyne. The molecular formula about this chemical is C8H10 and the molecular weight is 106.16. It belongs to the following product categories which include Acetylenes; Acetylenic Hydrocarbons; Alkynes; Organic Building Blocks; Terminal and so on.
Physical properties about 1,7-Octadiyne are: (1)ACD/LogP: 2.40; (2)ACD/LogD (pH 5.5): 2.4; (3)ACD/LogD (pH 7.4): 2.4; (4)ACD/BCF (pH 5.5): 38.97; (5)ACD/BCF (pH 7.4): 38.97; (6)ACD/KOC (pH 5.5): 478.95; (7)ACD/KOC (pH 7.4): 478.95 ; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.455; (10)Molar Refractivity: 34.76 cm3; (11)Molar Volume: 128.1 cm3; (12)Polarizability: 13.78x10-24cm3; (13)Surface Tension: 33.5 dyne/cm; (14)Flash Point: 23.3 °C; (15)Enthalpy of Vaporization: 35.77 kJ/mol; (16)Boiling Point: 135.7 °C at 760 mmHg; (17)Vapour Pressure: 9.45 mmHg at 25°C.
Uses of 1,7-Octadiyne: it can be used to produce 1,4-Di-[6]tetralyl-butan at heating. This reaction will need catalyst Co catalyst and solvent octane.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is flammable. If you want to use ot, please keep away from sources of ignition. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: C#CCCCCC#C
(2)InChI: InChI=1/C8H10/c1-3-5-7-8-6-4-2/h1-2H,5-8H2
(3)InChIKey: DSOJWVLXZNRKCS-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h1-2H,5-8H2
(5)Std. InChIKey: DSOJWVLXZNRKCS-UHFFFAOYSA-N