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Basic Information
CAS No.: 153295-62-6
Name: BIS(4-ETHYNYLPHENYL)ACETYLENE
Molecular Structure:
Molecular Structure of 153295-62-6 (BIS(4-ETHYNYLPHENYL)ACETYLENE)
Formula: C18H10
Molecular Weight: 226.277
Synonyms: Benzene,1,1'-(1,2-ethynediyl)bis[4-ethynyl- (9CI);4,4'-Diethynyltolan;
Density: 1.12 g/cm3
Melting Point: 186-190 °C
Boiling Point: 355.7 °C at 760 mmHg
Flash Point: 162.5 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
PSA: 0.00000
LogP: 3.04900
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Specification

The Benzene,1-ethynyl-4-[2-(4-ethynylphenyl)ethynyl]-, with the CAS registry number 153295-62-6, is also known as Bis(4-ethynylphenyl)acetylene. This chemical's molecular formula is C18H10 and molecular weight is 226.272. Its IUPAC name is called 1-ethynyl-4-[2-(4-ethynylphenyl)ethynyl]benzene. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Benzene,1-ethynyl-4-[2-(4-ethynylphenyl)ethynyl]-: (1)ACD/LogP: 5.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.14; (4)ACD/LogD (pH 7.4): 5.14; (5)ACD/BCF (pH 5.5): 4775.35; (6)ACD/BCF (pH 7.4): 4775.35; (7)ACD/KOC (pH 5.5): 14963.22; (8)ACD/KOC (pH 7.4): 14963.22; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.645; (11)Molar Refractivity: 72.85 cm3; (12)Molar Volume: 200.9 cm3; (13)Surface Tension: 56.3 dyne/cm; (14)Density: 1.12 g/cm3; (15)Flash Point: 162.5 °C; (16)Enthalpy of Vaporization: 57.72 kJ/mol; (17)Boiling Point: 355.7 °C at 760 mmHg; (18)Vapour Pressure: 6.29E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C#CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#C
(2)InChI: InChI=1S/C18H10/c1-3-15-5-9-17(10-6-15)13-14-18-11-7-16(4-2)8-12-18/h1-2,5-12H
(3)InChIKey: TWIVNHSGJOJLJM-UHFFFAOYSA-N