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18435-53-5

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Basic Information
CAS No.: 18435-53-5
Name: 1-Triacontene
Molecular Structure:
Molecular Structure of 18435-53-5 (1-Triacontene)
Formula: C30H60
Molecular Weight: 420.8
Synonyms: Triacontene;triacont-1-ene;36731-14-3;18435-53-5;
EINECS: 242-314-2
Density: 0.811 g/cm3
Melting Point: 62.4°C
Boiling Point: 439.8 °C at 760 mmHg
Flash Point: 275.7 °C
PSA: 0.00000
LogP: 11.72500
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Specification

The 1-Triacontene, with the CAS registry number 18435-53-5, is also known as Triacontene. Its EINECS number is 242-314-2. This chemical's molecular formula is C30H60 and molecular weight is 420.8. What's more, its systematic name is triacont-1-ene. Its classification code is TSCA Flag P.

Physical properties of 1-Triacontene are: (1)ACD/LogP: 16.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 16.19; (4)ACD/LogD (pH 7.4): 16.19; (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: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 27; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 140.76 cm3; (15)Molar Volume: 518.8 cm3; (16)Polarizability: 55.8×10-24 cm3; (17)Surface Tension: 30 dyne/cm; (18)Density: 0.811 g/cm3; (19)Flash Point: 275.7 °C; (20)Enthalpy of Vaporization: 67 kJ/mol; (21)Boiling Point: 439.8 °C at 760 mmHg; (22)Vapour Pressure: 1.6E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=C\CCCCCCCCCCCCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C30H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-30H2,2H3
(3)InChIKey: WMZHDICSCDKPFS-UHFFFAOYAH