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26856-30-4

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Basic Information
CAS No.: 26856-30-4
Name: Hexyne
Molecular Structure:
Molecular Structure of 26856-30-4 (Hexyne)
Formula: C6H10
Molecular Weight: 82.1454
Synonyms: hex-1-yne;
Density: 0.738 g/cm3
Boiling Point: 71.424 °C at 760 mmHg
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    Hexyne

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Specification

The CAS register number of Hexyne is 26856-30-4. The IUPAC name about this chemical is hex-1-yne. The molecular formula about this chemical is C6H10 and the molecular weight is 82.1454.

Physical properties about Hexyne are: (1)ACD/LogP: 2.70; (2)ACD/LogD (pH 5.5): 2.698; (3)ACD/LogD (pH 7.4): 2.698; (4)ACD/BCF (pH 5.5): 66.171; (5)ACD/BCF (pH 7.4): 66.171; (6)ACD/KOC (pH 5.5): 699.592; (7)ACD/KOC (pH 7.4): 699.592; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.411; (10)Molar Refractivity: 27.674 cm3; (11)Molar Volume: 111.341 cm3; (12)Polarizability: 10.971x10-24cm3; (13)Surface Tension: 25.36 dyne/cm; (14)Density: 0.738 g/cm3; (15)Enthalpy of Vaporization: 29.992 kJ/mol; (16)Boiling Point: 71.424 °C at 760 mmHg; (17)Vapour Pressure: 134.927 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCC#C
(2)InChI: InChI=1/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3
(3)InChIKey: CGHIBGNXEGJPQZ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3
(5)Std. InChIKey: CGHIBGNXEGJPQZ-UHFFFAOYSA-N