-
Name
3,4,4a,5,8,8a-hexahydro-3',6-dimethylspiro[1,4-methanonaphthalene-2(1H),2'-oxirane]
- EINECS 255-515-5
- CAS No. 41723-98-2
- Density 1.09 g/cm3
- Solubility
- Melting Point
- Formula C14H20O
- Boiling Point 291.9 °C at 760 mmHg
- Molecular Weight 204.308
- Flash Point 127.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 9-[9,12-Epoxyethyl]-4-methyltricyclo[6.2.1.02,7]undec-4-ene;
- PSA 12.53000
- LogP 3.15620
Spiro[1,4-methanonaphthalene-2(1H),2'-oxirane],3,4,4alpha,5,8,8alpha-hexahydro-3',6-dimethyl- Specification
The Spiro[1,4-methanonaphthalene-2(1H),2'-oxirane],3,4,4alpha,5,8,8alpha-hexahydro-3',6-dimethyl-, with the CAS registry number 41723-98-2, is also known as 3,4,4alpha,5,8,8alpha-Hexahydro-3',6-dimethylspiro(1,4-methanonaphthalene-2(1H),2'-oxirane). Its EINECS number is 255-515-5. This chemical's molecular formula is C14H20O and molecular weight is 204.308. Its systematic name is called 3',6-dimethyl-3,4,4alpha,5,8,8alpha-hexahydro-1H-spiro[1,4-methanonaphthalene-2,2'-oxirane].
Physical properties of Spiro[1,4-methanonaphthalene-2(1H),2'-oxirane],3,4,4alpha,5,8,8alpha-hexahydro-3',6-dimethyl-: (1)ACD/LogP: 3.31; (2)ACD/LogD (pH 5.5): 3.31; (3)ACD/LogD (pH 7.4): 3.31; (4)ACD/BCF (pH 5.5): 191.66; (5)ACD/BCF (pH 7.4): 191.66; (6)ACD/KOC (pH 5.5): 1497.77; (7)ACD/KOC (pH 7.4): 1497.77; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.553; (10)Molar Refractivity: 60.01 cm3; (11)Molar Volume: 187.4 cm3; (12)Surface Tension: 37.2 dyne/cm; (13)Density: 1.09 g/cm3; (14)Flash Point: 127.1 °C; (15)Enthalpy of Vaporization: 51 kJ/mol; (16)Boiling Point: 291.9 °C at 760 mmHg; (17)Vapour Pressure: 0.00332 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O4C3(CC1CC3C2C1CC(=C/C2)\C)C4C
(2)InChI: InChI=1/C14H20O/c1-8-3-4-11-12(5-8)10-6-13(11)14(7-10)9(2)15-14/h3,9-13H,4-7H2,1-2H3
(3)InChIKey: AVJUDQZBROVIIP-UHFFFAOYAB
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