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70058-03-6

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Basic Information
CAS No.: 70058-03-6
Name: Hexa-2-yn-4-ene, 4-ethyl-,(E)-
Molecular Structure:
Molecular Structure of 70058-03-6 (Hexa-2-yn-4-ene, 4-ethyl-,(E)-)
Formula: C8H12
Molecular Weight: 108.18328
Synonyms: trans-3-Ethyl-2-hexen-4-yne;
Density: 0.787 g/cm3
Boiling Point: 140.6 °C at 760 mmHg
Flash Point: 26.3 °C
PSA: 0.00000
LogP: 2.36600
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Specification

The CAS register number of 2-Hexen-4-yne,3-ethyl-, (E)- (9CI) is 70058-03-6. It also can be called as trans-3-Ethyl-2-hexen-4-yne and the IUPAC name about this chemical is (E)-3-ethylhex-2-en-4-yne. The molecular formula about this chemical is C8H12 and the molecular weight is 108.18328.

Physical properties about 2-Hexen-4-yne,3-ethyl-, (E)- (9CI) are: (1)ACD/LogP: 3.57 ; (2)#Freely Rotating Bonds: 1; (3)Index of Refraction: 1.451; (4)Molar Refractivity: 37.01 cm3; (5)Molar Volume: 137.3 cm3; (6)Polarizability: 14.67x10-24cm3; (7)Surface Tension: 26.6 dyne/cm; (8)Density: 0.787 g/cm3; (9)Flash Point: 26.3 °C; (10)Enthalpy of Vaporization: 36.23 kJ/mol; (11)Boiling Point: 140.6 °C at 760 mmHg; (12)Vapour Pressure: 7.59 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: C(#C/C(=C/C)CC)C
(2)InChI: InChI=1/C8H12/c1-4-7-8(5-2)6-3/h5H,6H2,1-3H3/b8-5+
(3)InChIKey: GWVWHRMKPSRNDX-VMPITWQZBC
(4)Std. InChI: InChI=1S/C8H12/c1-4-7-8(5-2)6-3/h5H,6H2,1-3H3/b8-5+
(5)Std. InChIKey: GWVWHRMKPSRNDX-VMPITWQZSA-N