Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(4aR,8aR)-rel-1,2,3,4,4a,5,8,8a-Octahydronaphthalene |
EINECS | N/A |
CAS No. | 2001-50-5 | Density | 0.898g/cm3 |
PSA | 0.00000 | LogP | 3.14280 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10 H16 | Boiling Point | 188.886 °C at 760 mmHg |
Molecular Weight | 136.237 | Flash Point | 55.879 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
trans-Δ2-Octalin;1,2,3,4,4aα,5,8,8aβ-Octahydronaphthalene; |
Article Data | 2 |
The (4aR,8aR)-rel-1,2,3,4,4a,5,8,8a-Octahydronaphthalene with cas registry number of 2001-50-5, is also called trans-Δ2-Octalin .
Physical properties of (4aR,8aR)-rel-1,2,3,4,4a,5,8,8a-Octahydronaphthalene :(1)ACD/LogP: 4.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1398; (6)ACD/BCF (pH 7.4): 1398; (7)ACD/KOC (pH 5.5): 6212; (8)ACD/KOC (pH 7.4): 6212; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 43.773 cm3; (15)Molar Volume: 151.721 cm3; (16)Polarizability: 17.353×10-24cm3; (17)Surface Tension: 31.878 dyne/cm; (18)Enthalpy of Vaporization: 40.769 kJ/mol; (19)Vapour Pressure: 0.809 mmHg at 25°C.
You can still convert the following datas into molecular structure: (1)SMILES:C\1=C\C[C@H]2CCCC[C@@H]2C/1; (2)InChI:InChI=1/C10H16/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,9-10H,3-8H2/t9-,10-/m0/s1; (3)InChIKey:XLOVPKCQAPHUKK-UWVGGRQHBN; (4)Std. InChI:InChI=1S/C10H16/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,9-10H,3-8H2/t9-,10-/m0/s1; (5)Std. InChIKey:XLOVPKCQAPHUKK-UWVGGRQHSA-N.