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CAS No.: | 5908-87-2 |
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Name: | DOCOSANOIC ACID ETHYL ESTER |
Molecular Structure: | |
Formula: | C24H48O2 |
Molecular Weight: | 368.644 |
Synonyms: | Behenicacid ethyl ester;Ethyl behenate;Ethyl docosanoate; |
EINECS: | 227-616-4 |
Density: | 0.86 g/cm3 |
Melting Point: | 50°C |
Boiling Point: | 387.8 °C at 760 mmHg |
Flash Point: | 180.2 °C |
Solubility: | 3.57E-06 mg/L at 25 °C in water |
PSA: | 26.30000 |
LogP: | 8.37140 |
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This chemical is called Ethyl docosanoate. With the molecular formula of C24H48O2, its molecular weight is 368.64. The CAS registry number of this chemical is 5908-87-2.
Other characteristics of the Ethyl docosanoate can be summarised as followings: (1)ACD/LogP: 11.34; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.34; (4)ACD/LogD (pH 7.4): 11.34; (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: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 22; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 115.01 cm3; (15)Molar Volume: 428.1 cm3; (16)Polarizability: 45.59×10-24cm3; (17)Surface Tension: 31.1 dyne/cm; (18)Density: 0.86 g/cm3; (19)Flash Point: 180.2 °C; (20)Enthalpy of Vaporization: 63.69 kJ/mol; (21)Boiling Point: 387.8 °C at 760 mmHg; (22)Vapour Pressure: 3.22E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)CCCCCCCCCCCCCCCCCCCCC
2.InChI: InChI=1/C24H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h3-23H2,1-2H3
3.InChIKey: JIZCYLOUIAIZHQ-UHFFFAOYAK