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17679-92-4

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Basic Information
CAS No.: 17679-92-4
Name: 1-Octen-3-yne
Article Data: 13
Molecular Structure:
Molecular Structure of 17679-92-4 (1-Octen-3-yne)
Formula: C8H12
Molecular Weight: 108.183
Synonyms: oct-1-en-3-yne;n-C4H9C.equiv.CCH=CH2;n-C4H9C.$.CCH=CH2;
Density: 0.778 g/cm3
Boiling Point: 138.3 °C at 760 mmHg
Flash Point: 24.9 °C
PSA: 0.00000
LogP: 2.36600
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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

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    factory?direct?sale Application:healing drugs

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    1-OCTEN-3-YNE

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Specification

The 1-Octen-3-yne, with the CAS registry number 17679-92-4, is also known as n-C4H9C.equiv.CCH=CH2. This chemical's molecular formula is C8H12 and molecular weight is 108.18. What's more, its systematic name is oct-1-en-3-yne.

Physical properties of 1-Octen-3-yne re: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.56; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 299.38; (6)ACD/BCF (pH 7.4): 299.38; (7)ACD/KOC (pH 5.5): 2061.04; (8)ACD/KOC (pH 7.4): 2061.04; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0Å2; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 36.84 cm3; (15)Molar Volume: 138.9 cm3; (16)Polarizability: 14.6×10-24 m3; (17)Surface Tension: 27.2 dyne/cm; (18)Density: 0.778 g/cm3; (19)Flash Point: 24.9 °C; (20)Enthalpy of Vaporization: 36.01 kJ/mol; (21)Boiling Point: 138.3 °C at 760 mmHg; (22)Vapour Pressure: 8.4 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(#CCCCC)\C=C
2)InChI: InChI=1/C8H12/c1-3-5-7-8-6-4-2/h3H,1,4,6,8H2,2H3
(3)InChIKey: UEKPKVCWUZMBML-UHFFFAOYAU