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CAS No.: | 2825-83-4 |
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Name: | ENDO-TETRAHYDRODICYCLOPENTADIENE |
Article Data: | 86 |
Molecular Structure: | |
Formula: | C10H16 |
Molecular Weight: | 136.237 |
Synonyms: | 4,7-Methano-1H-indene,octahydro-, (3aa,4a,7a,7aa)-;4,7-Methanoindan, hexahydro-, endo- (8CI);endo-Tetrahydrobicyclopentadiene;endo-Tetrahydrodicyclopentadiene;endo-Tricyclo[5.2.1.02,6]decane;endo-Trimethylenenorbornane; |
EINECS: | 220-586-3 |
Density: | 0.977 g/cm3 |
Melting Point: | 75 °C |
Boiling Point: | 192.519 °C at 760 mmHg |
Flash Point: | 40.556 °C |
PSA: | 0.00000 |
LogP: | 2.83260 |
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The systematic name of endo-Tetrahydrodicyclopentadiene is (3aR,4R,7S,7aS)-octahydro-1H-4,7-methanoindene. With the CAS registry number 2825-83-4, it is also named as 4,7-Methano-1H-indene, octahydro-, (3aR,4R,7S,7aS)-rel-. The product should be stored in closed, cool and dry place. Besides, it is an intermediate used in organic synthesis. And it can be used in the production of antioxidant 2246 and 2246-S, UV-326. In addition, its molecular formula is C10H16 and molecular weight is 136.23.
The other characteristics of endo-Tetrahydrodicyclopentadiene can be summarized as: (1)ACD/LogP: 4.36; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 952; (5)ACD/BCF (pH 7.4): 952; (6)ACD/KOC (pH 5.5): 4718; (7)ACD/KOC (pH 7.4): 4718; (8)Index of Refraction: 1.517; (9)Molar Refractivity: 42.222 cm3; (10)Molar Volume: 139.448 cm3; (11)Polarizability: 16.738x10-24cm3; (12)Surface Tension: 34.456 dyne/cm; (13)Enthalpy of Vaporization: 41.117 kJ/mol; (14)Vapour Pressure: 0.678 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1CC2C3CCC(C3)C2C1
(2)InChI: InChI=1S/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2
(3)InChIKey: LPSXSORODABQKT-UHFFFAOYSA-N