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18067-44-2

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Basic Information
CAS No.: 18067-44-2
Name: 1,8-diethynylnaphthalene
Molecular Structure:
Molecular Structure of 18067-44-2 (1,8-diethynylnaphthalene)
Formula: C14H8
Molecular Weight: 176.218
Synonyms: 1,8-Diethynylnaphthalene;
Density: 1.1 g/cm3
Boiling Point: 315.2 °C at 760 mmHg
Flash Point: 134.9 °C
PSA: 0.00000
LogP: 2.80240
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Specification

The Naphthalene,1,8-diethynyl- is an organic compound with the formula C14H8. With the CAS registry number 18067-44-2, the systematic name of this chemical is 1,8-diethynylnaphthalene.

Physical properties about Naphthalene,1,8-diethynyl- are: (1)ACD/LogP: 3.81; (2)ACD/LogD (pH 5.5): 3.81; (3)ACD/LogD (pH 7.4): 3.81; (4)ACD/BCF (pH 5.5): 464.98; (5)ACD/BCF (pH 7.4): 464.98; (6)ACD/KOC (pH 5.5): 2824.57; (7)ACD/KOC (pH 7.4): 2824.57; (8)Index of Refraction: 1.655; (9)Molar Refractivity: 58.43 cm3; (10)Molar Volume: 159.1 cm3; (11)Polarizability: 23.16×10-24cm3; (12)Surface Tension: 51.1 dyne/cm; (13)Density: 1.1 g/cm3; (14)Flash Point: 134.9 °C; (15)Enthalpy of Vaporization: 53.43 kJ/mol; (16)Boiling Point: 315.2 °C at 760 mmHg; (17)Vapour Pressure: 0.00082 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C#Cc1cccc2cccc(C#C)c12
(2)InChI: InChI=1/C14H8/c1-3-11-7-5-9-13-10-6-8-12(4-2)14(11)13/h1-2,5-10H
(3)InChIKey: IENBVLHUZUIOSC-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C14H8/c1-3-11-7-5-9-13-10-6-8-12(4-2)14(11)13/h1-2,5-10H
(5)Std. InChIKey: IENBVLHUZUIOSC-UHFFFAOYSA-N