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| CAS No.: | 92013-12-2 |
|---|---|
| Name: | 2-BUTYL-1H-INDENE |
| Molecular Structure: | |
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| Formula: | C13H16 |
| Molecular Weight: | 172.27 |
| Synonyms: | 2-Butylindene;2-butyl-1H-indene; |
| Density: | 0.955 g/cm3 |
| Boiling Point: | 262.16 °C at 760 mmHg |
| Flash Point: | 107.911 °C |
| Appearance: | transparent to yellow liquid |
| PSA: | 0.00000 |
| LogP: | 3.81630 |
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Specification
The 1H-Indene, 2-butyl-, with the CAS registry number 92013-12-2, has the systematic name of 2-butyl-1H-indene. It is a kind of transparent to yellow liquid, and belongs to the product categories of Indanone & Indene. And the molecular formula of the chemical is C13H16.
The characteristics of 1H-Indene, 2-butyl- are as followings: (1)ACD/LogP: 4.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 4358; (6)ACD/BCF (pH 7.4): 4358; (7)ACD/KOC (pH 5.5): 14016; (8)ACD/KOC (pH 7.4): 14016; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 56.619 cm3; (15)Molar Volume: 180.396 cm3; (16)Polarizability: 22.446×10-24cm3; (17)Surface Tension: 34.336 dyne/cm; (18)Density: 0.955 g/cm3; (19)Flash Point: 107.911 °C; (20)Enthalpy of Vaporization: 47.976 kJ/mol; (21)Boiling Point: 262.16 °C at 760 mmHg; (22)Vapour Pressure: 0.018 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCCCC=1Cc2ccccc2C=1
(2)InChI: InChI=1/C13H16/c1-2-3-6-11-9-12-7-4-5-8-13(12)10-11/h4-5,7-9H,2-3,6,10H2,1H3
(3)InChIKey: RLFBCEPAILSHTL-UHFFFAOYAE