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71808-36-1

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Basic Information
CAS No.: 71808-36-1
Name: (5E,9E)-tetradeca-5,9-dienoic (6E,11E)-tetradeca-6,11-dienoic anhydride
Molecular Structure:
Molecular Structure of 71808-36-1 ((5E,9E)-tetradeca-5,9-dienoic (6E,11E)-tetradeca-6,11-dienoic anhydride)
Formula: C28H46O3
Molecular Weight: 430.663
Density: 0.924 g/cm3
Boiling Point: 516.2 °C at 760 mmHg
Flash Point: 231 °C
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  • Anhydrides, C14-18 andC14-18-unsatd.

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    71808-36-1

    Anhydrides, C14-18 andC14-18-unsatd.

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  • Anhydrides, C14-18 andC14-18-unsatd.

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    71808-36-1

    Anhydrides, C14-18 andC14-18-unsatd.

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Specification

The Anhydrides, C14-18 andC14-18-unsatd., with the CAS registry number 71808-36-1, is also known as (5E,9E)-Tetradeca-5,9-dienoic (6E,11E)-tetradeca-6,11-dienoic anhydride. The classification code of this chemical is TSCA UVCB. This chemical's molecular formula is C28H46O3 and molecular weight is 430.66. What's more, its IUPAC name are the same which is [(6E,11E)-Tetradeca-6,11-dienoyl] (5E,9E)-tetradeca-5,9-dienoate.

Physical properties about Anhydrides, C14-18 andC14-18-unsatd are: (1)ACD/LogP: 10.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.4; (4) ACD/LogD (pH 7.4): 10.4; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 22 ; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 133.8 cm3; (15)Molar Volume: 465.7 cm3; (16)Polarizability: 53.04×10-24cm3; (17)Surface Tension: 34 dyne/cm; (18)Density: 0.924 g/cm3; (19)Flash Point: 231 °C; (20)Enthalpy of Vaporization: 78.83 kJ/mol; (21)Boiling Point: 516.2 °C at 760 mmHg; (22)Vapour Pressure: 9.16E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(=O)CCCC/C=C/CCC/C=C/CC)CCC/C=C/CC/C=C/CCCC
(2) InChI: InChI=1/C28H46O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)31-28(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,10,12,15,17-18,20H,3-4,6,8-9,11,13-14,16,19,21-26H2,1-2H3/b7-5+,12-10+,17-15+,20-18+
(3) InChIKey: VOINOCPIGNMBCG-LDFJDSBIBV