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13721-54-5

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Basic Information
CAS No.: 13721-54-5
Name: 1-Hexen-3-yne
Molecular Structure:
Molecular Structure of 13721-54-5 (1-Hexen-3-yne)
Formula: C6H8
Molecular Weight: 80.1295
Synonyms: Vinylethylacetylene;Ethylvinylacetylene;
Density: 0.756g/cm3
Boiling Point: 85.2 °C at 760 mmHg
PSA: 0.00000
LogP: 1.58580
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Specification

The 1-Hexen-3-yne, with CAS registry number 13721-54-5, has the systematic name of hex-1-en-3-yne. Besides this, it is also called Ethylvinylacetylene. Its molecular weight is 80.13. And the chemical formula of this chemical is C6H8.

Physical properties of 1-Hexen-3-yne: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 46.62; (6)ACD/BCF (pH 7.4): 46.62; (7)ACD/KOC (pH 5.5): 544.47; (8)ACD/KOC (pH 7.4): 544.47; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.433; (14)Molar Refractivity: 27.57 cm3; (15)Molar Volume: 105.9 cm3; (16)Polarizability: 10.93×10-24cm3; (17)Surface Tension: 25.4 dyne/cm; (18)Density: 0.756 g/cm3; (19)Enthalpy of Vaporization: 31.21 kJ/mol; (20)Boiling Point: 85.2 °C at 760 mmHg; (21)Vapour Pressure: 78.3 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C(#CCC)\C=C
(2)InChI: InChI=1/C6H8/c1-3-5-6-4-2/h3H,1,4H2,2H3
(3)InChIKey: BYSRUWKGUGERFI-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H8/c1-3-5-6-4-2/h3H,1,4H2,2H3
(5)Std. InChIKey: BYSRUWKGUGERFI-UHFFFAOYSA-N