1-Octen-3-yne supplier | CasNO.17679-92-4

Name
1-Octen-3-yne
EINECS
CAS No. 17679-92-4
Article Data13
CAS DataBase
Density 0.778 g/cm³
Solubility
Melting Point
Formula C₈H₁₂
Boiling Point 138.3 °C at 760 mmHg
Molecular Weight 108.183
Flash Point 24.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms oct-1-en-3-yne;n-C4H9C.equiv.CCH=CH2;n-C4H9C.$.CCH=CH2;
PSA 0.00000
LogP 2.36600

1-Octen-3-yne 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

Product Name

1-Octen-3-yne

1-Octen-3-yne Specification

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