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Name |
5,8,11-Eicosatriynoicacid |
EINECS | 200-533-0 |
CAS No. | 13488-22-7 | Density | 0.99 g/cm3 |
PSA | 37.30000 | LogP | 4.78230 |
Solubility | N/A | Melting Point |
70.5-71.5 °C |
Formula | C20H28O2 | Boiling Point | 473.8 °C at 760 mmHg |
Molecular Weight | 300.44 | Flash Point | 221.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
ETI; |
Article Data | 2 |
The 5,8,11-Eicosatriynoicacid is an organic compound with the formula C20H28O2. With the CAS registry number 13488-22-7, the IUPAC name of this chemical is icosa-5,8,11-triynoic acid. Besides, it should be stored in a closed cool and dry place at temperature of -20 °C.
Physical properties about 5,8,11-Eicosatriynoicacid are: (1)ACD/LogP: 6.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.21; (4)ACD/LogD (pH 7.4): 3.4; (5)ACD/BCF (pH 5.5): 3175.27; (6)ACD/BCF (pH 7.4): 49.92; (7)ACD/KOC (pH 5.5): 6034.6; (8)ACD/KOC (pH 7.4): 94.88; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 90.28 cm3; (15)Molar Volume: 303.2 cm3; (16)Polarizability: 35.79×10-24cm3; (17)Surface Tension: 44.7 dyne/cm; (18)Density: 0.99 g/cm3; (19)Flash Point: 221.9 °C; (20)Enthalpy of Vaporization: 80.73 kJ/mol; (21)Boiling Point: 473.8 °C at 760 mmHg; (22)Vapour Pressure: 2.78E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCC#CCC#CCC#CCCCCCCCC
(2)InChI: InChI=1/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-8,11,14,17-19H2,1H3,(H,21,22)
(3)InChIKey: OWYNLPMPYBYKJP-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-8,11,14,17-19H2,1H3,(H,21,22)
(5)Std. InChIKey: OWYNLPMPYBYKJP-UHFFFAOYSA-N