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CAS No.: | 764-40-9 |
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Name: | 2,4-Pentadienal |
Molecular Structure: | |
Formula: | C5H6O |
Molecular Weight: | 82.10 |
Synonyms: | Penta-2,4-dienal; |
Density: | 0.845 g/cm3 |
Boiling Point: | 128.7 °C at 760 mmHg |
Flash Point: | 44.4 °C |
Appearance: | Colourless liquid; fruity aroma |
PSA: | 17.07000 |
LogP: | 0.92750 |
The 2,4-Pentadienal, with the CAS registry number 764-40-9. It belongs to the product category of Aldehyde Flavor. This chemical's molecular formula is C5H6O and molecular weight is 82.10. What's more, its systematic name is Penta-2,4-dienal.
Physical properties of 2,4-Pentadienal are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.53; (4)ACD/LogD (pH 7.4): 0.53; (5)ACD/BCF (pH 5.5): 1.5; (6)ACD/BCF (pH 7.4): 1.5; (7)ACD/KOC (pH 5.5): 46.53; (8)ACD/KOC (pH 7.4): 46.53; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.431; (14)Molar Refractivity: 25.18 cm3; (15)Molar Volume: 97 cm3; (16)Polarizability: 9.98×10-24 cm3; (17)Surface Tension: 24.5 dyne/cm; (18)Density: 0.845 g/cm3; (19)Flash Point: 44.4 °C; (20)Enthalpy of Vaporization: 36.64 kJ/mol; (21)Boiling Point: 128.7 °C at 760 mmHg; (22)Vapour Pressure: 10.5 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=CC=C\C=C
(2)InChI: InChI=1/C5H6O/c1-2-3-4-5-6/h2-5H,1H2
(3)InChIKey: PPXGQLMPUIVFRE-UHFFFAOYAL