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| CAS No.: | 56598-53-9 |
|---|---|
| Name: | 1,4-Pentadiyn-3-ol |
| Molecular Structure: | |
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| Formula: | C5H4O |
| Molecular Weight: | 80.0862 |
| Synonyms: | 3-Hydroxy-1,4-pentadiyne; |
| Density: | 1.047 g/cm3 |
| Melting Point: | 51.5-52.0 °C |
| Boiling Point: | 139.116 °C at 760 mmHg |
| Flash Point: | 51.612 °C |
| Appearance: | White crystal |
| PSA: | 20.23000 |
| LogP: | -0.38630 |
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- Total:29 Page 1 of 1 1
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Specification
The 1,4-Pentadiyn-3-ol with the CAS number 3-Hydroxy-1,4-pentadiyne. The systematic name is penta-1,4-diyn-3-ol. Its molecular formula is C5H4O. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 1,4-Pentadiyn-3-ol are: (1)ACD/LogP: -0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29; (8)ACD/KOC (pH 7.4): 29; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 22.363 cm3; (15)Molar Volume: 76.481 cm3; (16)Polarizability: 8.865×10-24cm3; (17)Surface Tension: 49.807 dyne/cm; (18)Enthalpy of Vaporization: 43.853 kJ/mol; (19)Vapour Pressure: 2.714 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C#CC(C#C)O
(2)InChI: InChI=1/C5H4O/c1-3-5(6)4-2/h1-2,5-6H
(3)InChIKey: BKDYPNZJRPEUEI-UHFFFAOYAF