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30316-19-9

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Basic Information
CAS No.: 30316-19-9
Name: 1,4,6-Trimethyl-5,8-dihydronaphthalene
Molecular Structure:
Molecular Structure of 30316-19-9 (1,4,6-Trimethyl-5,8-dihydronaphthalene)
Formula: C13H16
Molecular Weight: 172.2661
Synonyms: Naphthalene, 1,4-dihydro-2,5,8-trimethyl-;
Density: 0.956 g/cm3
Boiling Point: 261.2 °C at 760 mmHg
Flash Point: 107.3 °C
PSA: 0.00000
LogP: 3.34830
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    1,4,6-Trimethyl-5,8-dihydronaphthalene

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    1,4,6-TRIMETHYL-5,8-DIHYDRONAPHTHALENECASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 1,4,6-Trimethyl-5,8-dihydronaphthalene, with the CAS registry number 30316-19-9, is also known as Naphthalene, 1,4-dihydro-2,5,8-trimethyl-. This chemical's molecular formula is C13H16 and molecular weight is 172.2661. What's more, both its IUPAC name and systematic name are the same which is 2,5,8-Trimethyl-1,4-dihydronaphthalene.

Physical properties about 1,4,6-Trimethyl-5,8-dihydronaphthalene are: (1)ACD/LogP: 5.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.04; (4)ACD/LogD (pH 7.4): 5.04; (5)ACD/BCF (pH 5.5): 3982.82; (6)ACD/BCF (pH 7.4): 3982.82; (7)ACD/KOC (pH 5.5): 13140.44; (8)ACD/KOC (pH 7.4): 13140.44; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 56.99 cm3; (15)Molar Volume: 180 cm3; (16)Polarizability: 22.59×10-24 cm3; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 0.956 g/cm3; (19)Flash Point: 107.3 °C; (20)Enthalpy of Vaporization: 47.88 kJ/mol; (21)Boiling Point: 261.2 °C at 760 mmHg; (22)Vapour Pressure: 0.019 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(c2c(c1C)C/C(=C\C2)C)C
(2) InChI: InChI=1/C13H16/c1-9-4-7-12-10(2)5-6-11(3)13(12)8-9/h4-6H,7-8H2,1-3H3
(3) InChIKey: IHKOCLLCECPECA-UHFFFAOYAD