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16424-55-8

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Basic Information
CAS No.: 16424-55-8
Name: 5-CAPROLEIC ACID
Article Data: 5
Molecular Structure:
Molecular Structure of 16424-55-8 (5-CAPROLEIC ACID)
Formula: C10H18O2
Molecular Weight: 170.252
Synonyms: 5-Decenoicacid, (E)- (8CI);(E)-5-Decenoic acid;
Density: 0.936 g/cm3
Boiling Point: 277.3 °C at 760 mmHg
Flash Point: 174.5 °C
PSA: 37.30000
LogP: 2.98770
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Specification

The (E)-5-Decenoic acid with the CAS number 16424-55-8 is also called 5-Decenoic acid, (5E)-. The systematic name is (5E)-dec-5-enoic acid. Its molecular formula is C10H18O2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 40.23; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 288.78; (8)ACD/KOC (pH 7.4): 4.62; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 49.99 cm3; (15)Molar Volume: 181.8 cm3; (16)Polarizability: 19.82×10-24cm3; (17)Surface Tension: 33.9 dyne/cm; (18)Enthalpy of Vaporization: 56.77 kJ/mol; (19)Vapour Pressure: 0.00124 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCC/C=C/CCCC
(2)InChI: InChI=1/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h5-6H,2-4,7-9H2,1H3,(H,11,12)/b6-5+
(3)InChIKey: UJUXUEKQHBXUEM-AATRIKPKBC