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| CAS No.: | 92013-11-1 |
|---|---|
| Name: | 2-PROPYL-1 H-INDENE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C12H14 |
| Molecular Weight: | 158.24 |
| Synonyms: | 2-propyl-1H-indene; |
| Density: | 0.965 g/cm3 |
| Melting Point: | 71.5°C (estimate) |
| Boiling Point: | 243.9 °C at 760 mmHg |
| Flash Point: | 96 °C |
| PSA: | 0.00000 |
| LogP: | 3.42620 |
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Specification
The 1H-Indene, 2-propyl-, with the CAS registry number 92013-11-1, has the systematic name of 2-propyl-1H-indene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C12H14.
The characteristics of 1H-Indene, 2-propyl- are as followings: (1)ACD/LogP: 4.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.56; (4)ACD/LogD (pH 7.4): 4.56; (5)ACD/BCF (pH 5.5): 1719.84; (6)ACD/BCF (pH 7.4): 1719.84; (7)ACD/KOC (pH 5.5): 7203.78; (8)ACD/KOC (pH 7.4): 7203.78; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 51.98 cm3; (15)Molar Volume: 163.8 cm3; (16)Polarizability: 20.6×10-24cm3; (17)Surface Tension: 34.2 dyne/cm; (18)Density: 0.965 g/cm3; (19)Flash Point: 96 °C; (20)Enthalpy of Vaporization: 46.15 kJ/mol; (21)Boiling Point: 243.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0487 mmHg at 25°C.
Uses of 1H-Indene, 2-propyl-: It can be used to produce 2-n-propylindan. This reaction will need reagent tetra-n-butylammonium H2, catalyst PtO2, and the menstruum tetrahydrofuran. The reaction pressure is 1034.3 - 1551.4Pa, and the yield is about 97%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cccc\2c1C/C(=C/2)CCC
(2)InChI: InChI=1/C12H14/c1-2-5-10-8-11-6-3-4-7-12(11)9-10/h3-4,6-8H,2,5,9H2,1H3
(3)InChIKey: DOUIKRLGKLTCJI-UHFFFAOYAL