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Name |
Pyrene,4,5,9,10-tetrahydro- |
EINECS | N/A |
CAS No. | 781-17-9 | Density | 1.162 g/cm3 |
PSA | 0.00000 | LogP | 3.55080 |
Solubility | N/A | Melting Point |
138.0 to 142.0 °C |
Formula | C16H14 | Boiling Point | 349.1 °C at 760 mmHg |
Molecular Weight | 206.287 | Flash Point | 176.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4,5,9,10-Tetrahydropyrene; |
Article Data | 20 |
The Pyrene,4,5,9,10-tetrahydro- is an organic compound with the formula C16H14. The IUPAC name of this chemical is 4,5,9,10-tetrahydropyrene. With the CAS registry number 781-17-9, the product's category is Pyrenes.
Physical properties about Pyrene,4,5,9,10-tetrahydro- are: (1)ACD/LogP: 5.78; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.78; (4)ACD/LogD (pH 7.4): 5.78; (5)ACD/BCF (pH 5.5): 14531.07; (6)ACD/BCF (pH 7.4): 14531.07; (7)ACD/KOC (pH 5.5): 33186.41; (8)ACD/KOC (pH 7.4): 33186.41; (9)Index of Refraction: 1.666; (10)Molar Refractivity: 65.96 cm3; (11)Molar Volume: 177.4 cm3; (12)Polarizability: 26.15×10-24cm3; (13)Surface Tension: 50.5 dyne/cm; (14)Density: 1.162 g/cm3; (15)Flash Point: 176.1 °C; (16)Enthalpy of Vaporization: 57.01 kJ/mol; (17)Boiling Point: 349.1 °C at 760 mmHg; (18)Vapour Pressure: 9.69E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c2ccc4c3c1c(cccc1CCc23)CC4
(2)InChI: InChI=1/C16H14/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-6H,7-10H2
(3)InChIKey: XDFUNRTWHPWCKO-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C16H14/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-6H,7-10H2
(5)Std. InChIKey: XDFUNRTWHPWCKO-UHFFFAOYSA-N