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CAS No.: | 35185-60-5 |
---|---|
Name: | 3-ethyltetracosan-3-ol |
Molecular Structure: | |
Formula: | C26H54O |
Molecular Weight: | 382.714 |
Synonyms: | NSC 158425;3-ethyltetracosan-3-ol;3-Ethyl-3-tetracosanol; |
EINECS: | 252-423-7 |
Density: | 0.84 g/cm3 |
Boiling Point: | 382.70636 |
Flash Point: | 191.6 °C |
PSA: | 20.23000 |
LogP: | 9.35940 |
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The CAS register number of 3-Tetracosanol,3-ethyl- is 35185-60-5. It also can be called as 3-Ethyl-3-tetracosanol and the IUPAC name about this chemical is 3-ethyltetracosan-3-ol. The molecular formula about this chemical is C26H54O and the molecular weight is 382.70636.
Physical properties about 3-Tetracosanol,3-ethyl- are: (1)ACD/LogP: 12.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.2; (4)ACD/LogD (pH 7.4): 12.2; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 23; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 124 cm3; (15)Molar Volume: 455.2 cm3; (16)Polarizability: 49.15x10-24cm3; (17)Surface Tension: 31.4 dyne/cm; (18)Density: 0.84 g/cm3; (19)Flash Point: 191.6 °C; (20)Enthalpy of Vaporization: 78.17 kJ/mol; (21)Boiling Point: 422.7 °C at 760 mmHg; (22)Vapour Pressure: 6.49E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(CCCCCCCCCCCCCCCCCCCCC)(CC)CC
(2)InChI: InChI=1/C26H54O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27,5-2)6-3/h27H,4-25H2,1-3H3
(3)InChIKey: MWAVENVCDCNNPF-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C26H54O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27,5-2)6-3/h27H,4-25H2,1-3H3
(5)Std. InChIKey: MWAVENVCDCNNPF-UHFFFAOYSA-N