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| CAS No.: | 13533-18-1 |
|---|---|
| Name: | oleyl acrylate |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C21H38O2 |
| Molecular Weight: | 322.532 |
| Synonyms: | 2-Propenoic acid, 9-octadecenyl ester,(Z)-;Oleyl acrylate;2-Propenoicacid, (9Z)-9-octadecenyl ester (9CI);2-Propenoic acid, (9Z)-9-octadecenyl ester;(9Z)-Octadec-9-en-1-yl prop-2-enoate; |
| EINECS: | 236-889-9 |
| Density: | 0.877 g/cm3 |
| Boiling Point: | 409.5 °C at 760 mmHg |
| Flash Point: | 198.5 °C |
| PSA: | 26.30000 |
| LogP: | 6.75310 |
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- Total:3 Page 1 of 1 1
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Specification
The 2-Propenoic acid,(9Z)-9-octadecen-1-yl ester, with the CAS registry number 13533-18-1, is also known as 2-Propenoic acid, (9Z)-9-octadecenyl ester. Its EINECS number is 236-889-9. This chemical's molecular formula is C21H38O2 and molecular weight is 322.53. What's more, its systematic name is (9Z)-Octadec-9-en-1-yl prop-2-enoate.
Physical properties of 2-Propenoic acid,(9Z)-9-octadecen-1-yl ester are: (1)ACD/LogP: 9.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.31; (4)ACD/LogD (pH 7.4): 9.31; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2757760.25; (8)ACD/KOC (pH 7.4): 2757760.25; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 100.89 cm3; (15)Molar Volume: 367.3 cm3; (16)Polarizability: 39.99×10-24 cm3; (17)Surface Tension: 31.2 dyne/cm; (18)Density: 0.877 g/cm3; (19)Flash Point: 198.5 °C; (20)Enthalpy of Vaporization: 66.17 kJ/mol; (21)Boiling Point: 409.5 °C at 760 mmHg; (22)Vapour Pressure: 6.45E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCC=CCCCCCCCCOC(=O)C=C
(2)InChI: InChI=1S/C21H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h4,11-12H,2-3,5-10,13-20H2,1H3/b12-11-
(3)InChIKey: ASAPXSLRMDUMFX-QXMHVHEDSA-N