1-Hexen-3-yne supplier | CasNO.13721-54-5

Name
1-Hexen-3-yne
EINECS
CAS No. 13721-54-5
Density 0.756g/cm³
Solubility
Melting Point
Formula C₆H₈
Boiling Point 85.2 °C at 760 mmHg
Molecular Weight 80.1295
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Vinylethylacetylene;Ethylvinylacetylene;
PSA 0.00000
LogP 1.58580

1-Hexen-3-yne 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

Product Name

1-Hexen-3-yne

1-Hexen-3-yne Specification

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