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| CAS No.: | 25265-78-5 |
|---|---|
| Name: | DODECYLBENZENE |
| Molecular Structure: | |
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| Formula: | C18H30 |
| Molecular Weight: | 246.43 |
| Synonyms: | Tetrapropylenebenzene; |
| EINECS: | 246-772-4 |
| Density: | 0.859 g/cm3 |
| Melting Point: | 3 °C(lit.) |
| Boiling Point: | 320.1 °C at 760 mmHg |
| Flash Point: | 145.9 °C |
| Safety: | 24/25 |
| PSA: | 0.00000 |
| LogP: | 6.15000 |
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Specification
This chemical is called Benzene, tetrapropylene-, and its systematic name is 1,2,3,5-tetrapropylbenzene. With the molecular formula of C18H30, its molecular weight is 246.43. The CAS registry number of this chemical is 25265-78-5.
Other characteristics of the Benzene, tetrapropylene- can be summarised as followings: (1)ACD/LogP: 8.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.31; (4)ACD/LogD (pH 7.4): 8.31; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 789422.13; (8)ACD/KOC (pH 7.4): 789422.13; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8 ; (12)Index of Refraction: 1.49; (13)Molar Refractivity: 82.98 cm3; (14)Molar Volume: 286.7 cm3; (15)Polarizability: 32.89×10-24cm3; (16)Surface Tension: 30.3 dyne/cm; (17)Density: 0.859 g/cm3; (18)Flash Point: 145.9 °C; (19)Enthalpy of Vaporization: 53.94 kJ/mol; (20)Boiling Point: 320.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000608 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1(cc(cc(c1CCC)CCC)CCC)CCC
2.InChI: InChI=1/C18H30/c1-5-9-15-13-16(10-6-2)18(12-8-4)17(14-15)11-7-3/h13-14H,5-12H2,1-4H3
3.InChIKey: NYIQECIYDUSNRC-UHFFFAOYAX