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1,7-Octadiyne

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Name

1,7-Octadiyne

EINECS 212-815-0
CAS No. 871-84-1 Density 0.828 g/cm3
PSA 0.00000 LogP 1.81320
Solubility N/A Melting Point 27°C (estimate)
Formula C8H10 Boiling Point 135.7 °C at 760 mmHg
Molecular Weight 106.167 Flash Point 23.3 °C
Transport Information UN 3295 3/PG 3 Appearance clear colorless to faintly yellow liquid
Safety 16-26-36/37/39 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 871-84-1 (1,7-Octadiyne) Hazard Symbols IrritantXi
Synonyms

NSC 35135;Octa-1,7-diyne;

Article Data 10

1,7-Octadiyne 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.

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

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