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35378-76-8

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Basic Information
CAS No.: 35378-76-8
Name: 2,5-Octadiyn-1-ol
Article Data: 21
Molecular Structure:
Molecular Structure of 35378-76-8 (2,5-Octadiyn-1-ol)
Formula: C8H10O
Molecular Weight: 122.167
Synonyms: 2,5-octadiyn-1-ol
Density: 0.98 g/cm3
Boiling Point: 237.789 °C at 760 mmHg
Flash Point: 107.685 °C
PSA: 20.23000
LogP: 0.78560
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Specification

The CAS registry number of 2,5-Octadiyn-1-ol is 35378-76-8. This chemical's molecular formula is C8H10O and molecular weight is 122.1644. Its systematic name is called octa-2,5-diyn-1-ol.

Physical properties of 2,5-Octadiyn-1-ol: (1)ACD/LogP: 2.24; (2)ACD/LogD (pH 5.5): 2.235; (3)ACD/LogD (pH 7.4): 2.235; (4)ACD/BCF (pH 5.5): 29.434; (5)ACD/BCF (pH 7.4): 29.433; (6)ACD/KOC (pH 5.5): 391.754; (7)ACD/KOC (pH 7.4): 391.753; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.5; (12)Molar Refractivity: 36.657 cm3; (13)Molar Volume: 124.706 cm3; (14)Surface Tension: 45.268 dyne/cm; (15)Density: 0.98 g/cm3; (16)Flash Point: 107.685 °C; (17)Enthalpy of Vaporization: 55.164 kJ/mol; (18)Boiling Point: 237.789 °C at 760 mmHg; (19)Vapour Pressure: 0.008 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC#CCC#CCO
(2)InChI: InChI=1/C8H10O/c1-2-3-4-5-6-7-8-9/h9H,2,5,8H2,1H3
(3)InChIKey: TXUHNLOXWCWCHH-UHFFFAOYAD