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54405-64-0

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Basic Information
CAS No.: 54405-64-0
Name: TETRADECENYLSUCCINIC ANHYDRIDE
Molecular Structure:
Molecular Structure of 54405-64-0 (TETRADECENYLSUCCINIC ANHYDRIDE)
Formula: C18H30O3
Molecular Weight: 294.429
Synonyms: 2,5-Furandione,dihydro-3-(2-tetradecenyl)- (9CI);(2-Tetradecen-1-yl)succinic anhydride;2-Tetradecenylsuccinic anhydride;
EINECS: 259-153-9
Density: 0.974 g/cm3
Boiling Point: 415.7 °C at 760 mmHg
Flash Point: 187.5 °C
PSA: 43.37000
LogP: 4.94330
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Specification

The 2,5-Furandione,dihydro-3-(2-tetradecen-1-yl)-, with the CAS registry number 54405-64-0, is also known as Dihydro-3-(2-tetradecenyl)furan-2,5-dione. Its EINECS registry number is 259-153-9. This chemical's molecular formula is C18H30O3 and molecular weight is 294.429. Its IUPAC name is called 3-tetradec-2-enyloxolane-2,5-dione.

Physical properties of 2,5-Furandione,dihydro-3-(2-tetradecen-1-yl)-: (1)ACD/LogP: 5.75; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.75; (4)ACD/LogD (pH 7.4): 5.75; (5)ACD/BCF (pH 5.5): 13850.38; (6)ACD/BCF (pH 7.4): 13850.38; (7)ACD/KOC (pH 5.5): 32066.11; (8)ACD/KOC (pH 7.4): 32066.11; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 12; (11)Index of Refraction: 1.476; (12)Molar Refractivity: 85.29 cm3; (13)Molar Volume: 302 cm3; (14)Surface Tension: 35.6 dyne/cm; (15)Density: 0.974 g/cm3; (16)Flash Point: 187.5 °C; (17)Enthalpy of Vaporization: 66.88 kJ/mol; (18)Boiling Point: 415.7 °C at 760 mmHg; (19)Vapour Pressure: 4.04E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCC=CCC1CC(=O)OC1=O
(2)InChI: InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(19)21-18(16)20/h12-13,16H,2-11,14-15H2,1H3
(3)InChIKey: UCXPNVVUUNXKPX-UHFFFAOYSA-N