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2-Pentanol, 2-acetate supplier 2-Pentanol, 2-acetate China 2-Pentanol, 2-acetate 98%
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1.Properties of 2-Pentanol, 2-acetate
(1)ACD/LogP: 2.158 (2)# of Rule of 5 Violations: 0
(3)ACD/LogD (pH 5.5): 2.16 (4)ACD/LogD (pH 7.4): 2.16
(5)ACD/BCF (pH 5.5): 25.70 (6)ACD/BCF (pH 7.4): 25.70
(7)ACD/KOC (pH 5.5): 355.50 (8)ACD/KOC (pH 7.4): 355.50
(9)#H bond acceptors: 2 (10)#H bond donors: 0
(11)#Freely Rotating Bonds: 4 (12)Polar Surface Area: 26.3 ?2
(13)Index of Refraction: 1.404 (14)Molar Refractivity: 36.212 cm3
(15)Molar Volume: 147.942 cm3 (16)Polarizability: 14.356 10-24cm3
(17)Surface Tension: 25.5960006713867 dyne/cm (18)Density: 0.88 g/cm3
(19)Flash Point: 33.436 °C (20)Enthalpy of Vaporization: 36.813 kJ/mol
(21)Boiling Point: 130.499 °C at 760 mmHg (22)Vapour Pressure: 9.68400001525879 mmHg at 25°C
2.Structure descriptors of 2-Pentanol, 2-acetate
SMILES:O=C(OC(C)CCC)C
Std. InChI:InChI=1S/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3
Std. InChIKey:GQKZRWSUJHVIPE-UHFFFAOYSA-N
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