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71046-96-3

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Basic Information
CAS No.: 71046-96-3
Name: heptadeca-1,8,11,14-tetraene
Molecular Structure:
Molecular Structure of 71046-96-3 (heptadeca-1,8,11,14-tetraene)
Formula: C17H28
Molecular Weight: 232.40422
Synonyms: (8E,11E,14E)-heptadeca-1,8,11,14-tetraene;
EINECS: 275-155-2
Density: 0.815 g/cm3
Boiling Point: 312.6 °C at 760 mmHg
Flash Point: 135.1 °C
PSA: 0.00000
LogP: 5.98170
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Specification

The 1,8,11,14-Heptadecatetraene, with cas registry number of 71046-96-3 and EINECS registry number 275-155-2, has the systematic name of (8E,11E,14E)-heptadeca-1,8,11,14-tetraene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C17H28.

The characteristics of 1,8,11,14-Heptadecatetraene are as followings: (1)ACD/LogP: 7.56; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.56; (4)ACD/LogD (pH 7.4): 7.56; (5)ACD/BCF (pH 5.5): 328862.63; (6)ACD/BCF (pH 7.4): 328862.63; (7)ACD/KOC (pH 5.5): 309494.22; (8)ACD/KOC (pH 7.4): 309494.22; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 80.7 cm3; (15)Molar Volume: 285 cm3; (16)Polarizability: 31.99×10-24cm3; (17)Surface Tension: 28.5 dyne/cm; (18)Density: 0.815 g/cm3; (19)Flash Point: 135.1 °C; (20)Enthalpy of Vaporization: 53.16 kJ/mol; (21)Boiling Point: 312.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000961 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C(=C/C/C=C/CCCCC\C=C)\C/C=C/CC
(2)InChI: InChI=1/C17H28/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,6,8,12,14-15,17H,1,4-5,7,9-11,13,16H2,2H3/b8-6+,14-12+,17-15+
(3)InChIKey: JXRNMQDTJAQLAQ-LIFWOIOZBL