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81-03-8

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Basic Information
CAS No.: 81-03-8
Name: 1,1,3,3,5-pentamethylindan
Molecular Structure:
Molecular Structure of 81-03-8 (1,1,3,3,5-pentamethylindan)
Formula: C14H20
Molecular Weight: 188.313
Synonyms: Indan,1,1,3,3,5-pentamethyl- (6CI,7CI,8CI);1,1,3,3,5-Pentamethyl-2,3-dihydro-1H-indene;1,1,3,3,5-Pentamethylindan;1,1,3,3,5-Pentamethylindane;
EINECS: 201-316-3
Density: 0.889 g/cm3
Boiling Point: 243.9 °C at 760 mmHg
Flash Point: 96.9 °C
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    CAS81-03-8 1,1,3,3,5-pentamethylindan

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Specification

The 1H-Indene,2,3-dihydro-1,1,3,3,5-pentamethyl-, with the CAS registry number 81-03-8, is also known as 1,1,3,3,5-Pentamethylindan. Its EINECS registry number is 201-316-3. This chemical's molecular formula is C14H20 and molecular weight is 188.3086. Its IUPAC name is called 1,1,3,3,5-pentamethyl-2H-indene.

Physical properties of 1H-Indene,2,3-dihydro-1,1,3,3,5-pentamethyl-: (1)ACD/LogP: 5.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.87; (4)ACD/LogD (pH 7.4): 5.87; (5)ACD/BCF (pH 5.5): 16897.22; (6)ACD/BCF (pH 7.4): 16897.22; (7)ACD/KOC (pH 5.5): 36970.66; (8)ACD/KOC (pH 7.4): 36970.66; (9)Index of Refraction: 1.496; (10)Molar Refractivity: 61.89 cm3; (11)Molar Volume: 211.6 cm3; (12)Surface Tension: 30.4 dyne/cm; (13)Density: 0.889 g/cm3; (14)Flash Point: 96.9 °C; (15)Enthalpy of Vaporization: 46.14 kJ/mol; (16)Boiling Point: 243.9 °C at 760 mmHg; (17)Vapour Pressure: 0.0489 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC2=C(C=C1)C(CC2(C)C)(C)C
(2)InChI: InChI=1S/C14H20/c1-10-6-7-11-12(8-10)14(4,5)9-13(11,2)3/h6-8H,9H2,1-5H3
(3)InChIKey: NNXHDILUOAXSPU-UHFFFAOYSA-N