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| CAS No.: | 21643-42-5 |
|---|---|
| Name: | ACRYLIC ACID TETRADECYL ESTER |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C17H32O2 |
| Molecular Weight: | 268.44 |
| Synonyms: | Acrylicacid, tetradecyl ester (8CI);1-Tetradecanol, acrylate (8CI);Myristylacrylate;Tetradecyl acrylate;n-Tetradecyl acrylate;Acrylic acid tetradecyl ester;Tetradecyl prop-2-enoate;2-Propenoic acid, n-tetradecyl ester;Tetradecyl 2-propenoate; |
| EINECS: | 244-491-1 |
| Density: | 0.872 g/cm3 |
| Melting Point: | 14 °C |
| Boiling Point: | 339.3 °C at 760 mmHg |
| Flash Point: | 125.4 °C |
| Solubility: | 2μg/L at 20℃ |
| PSA: | 26.30000 |
| LogP: | 5.41670 |
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- Total:37 Page 1 of 1 1
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Specification
The 2-Propenoic acid,tetradecyl ester, with the CAS registry number 21643-42-5, is also known as Acrylic acid tetradecyl ester. Its EINECS number is 244-491-1. This chemical's molecular formula is C17H32O2 and molecular weight is 268.43. What's more, its systematic name is Tetradecyl prop-2-enoate.
Physical properties of 2-Propenoic acid,tetradecyl ester are: (1)ACD/LogP: 7.70; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.7; (4)ACD/LogD (pH 7.4): 7.7; (5)ACD/BCF (pH 5.5): 419443.09; (6)ACD/BCF (pH 7.4): 419443.09; (7)ACD/KOC (pH 5.5): 368367.91; (8)ACD/KOC (pH 7.4): 368367.91; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 82.3 cm3; (15)Molar Volume: 307.7 cm3; (16)Polarizability: 32.62×10-24 cm3; (17)Surface Tension: 30.3 dyne/cm; (18)Density: 0.872 g/cm3; (19)Flash Point: 125.4 °C; (20)Enthalpy of Vaporization: 58.27 kJ/mol; (21)Boiling Point: 339.3 °C at 760 mmHg; (22)Vapour Pressure: 9.29E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCCCCC)\C=C
(2)InChI: InChI=1S/C17H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h4H,2-3,5-16H2,1H3
(3)InChIKey: XZHNPVKXBNDGJD-UHFFFAOYSA-N