-
Name
1-Ethylindane
- EINECS
- CAS No. 4830-99-3
- Article Data1
- CAS DataBase
- Density 0.936 g/cm3
- Solubility
- Melting Point
- Formula C11H14
- Boiling Point 222 °C at 760 mmHg
- Molecular Weight 146.232
- Flash Point 75.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Indan, 1-ethyl-;1H-Indene, 1-ethyl-2,3-dihydro-;1-Ethylindan;1-Ethyl-[2,3-dihydroindene];
- PSA 0.00000
- LogP 3.12640
1-Ethylindane Specification
The 1-Ethylindane, with the CAS registry number 4830-99-3, is also known as 1-Ethyl-[2,3-dihydroindene]. This chemical's molecular formula is C11H14 and molecular weight is 146.23. Its IUPAC name and systematic name are the same which is called 1-ethyl-2,3-dihydro-1H-indene.
Physical properties of 1-Ethylindane: (1)ACD/LogP: 4.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.36; (4)ACD/LogD (pH 7.4): 4.36; (5)ACD/BCF (pH 5.5): 1218.77; (6)ACD/BCF (pH 7.4): 1218.77; (7)ACD/KOC (pH 5.5): 5629.92; (8)ACD/KOC (pH 7.4): 5629.92 ; (9)Index of Refraction: 1.523; (10)Molar Refractivity: 47.75 cm3; (11)Molar Volume: 156 cm3; (12)Surface Tension: 34.2 dyne/cm; (13)Density: 0.936 g/cm3; (14)Flash Point: 75.5 °C; (15)Enthalpy of Vaporization: 43.98 kJ/mol; (16)Boiling Point: 222 °C at 760 mmHg; (17)Vapour Pressure: 0.155 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1CCC2=CC=CC=C12
(2)InChI: InChI=1S/C11H14/c1-2-9-7-8-10-5-3-4-6-11(9)10/h3-6,9H,2,7-8H2,1H3
(3)InChIKey: SECAQUZEXAHWBA-UHFFFAOYSA-N
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