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| CAS No.: | 1472-87-3 |
|---|---|
| Name: | DIMETHYL BRASSYLATE |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C15H28O4 |
| Molecular Weight: | 272.385 |
| Synonyms: | Tridecanedioicacid, dimethyl ester (6CI,7CI,8CI,9CI);1,11-Undecanedicarboxylic acid dimethylester;Dimethyl 1,11-undecanedicarboxylate;Dimethyl brassylate;Dimethyltridecane-1,13-dioate;Dimethyl tridecanedioate; |
| EINECS: | 216-012-6 |
| Density: | 0.962 g/cm3 |
| Melting Point: | 35-37 °C(lit.) |
| Boiling Point: | 326.999 °C at 760 mmHg |
| Flash Point: | 140.751 °C |
| Appearance: | Powder |
| PSA: | 52.60000 |
| LogP: | 3.62350 |
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Specification
This chemical is called Dimethyl brassylate, and it can also be named as Tridecanedioic acid, 1,13-dimethyl ester. With the molecular formula of C15H28O4, its molecular weight is 272.38. The CAS registry number of this chemical is 1472-87-3. In addition, this chemical should be sealed in the cool and dry place.
Other characteristics of the Dimethyl brassylate can be summarised as followings: (1)ACD/LogP: 4.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.38; (4)ACD/LogD (pH 7.4): 4.38; (5)ACD/BCF (pH 5.5): 1256.91; (6)ACD/BCF (pH 7.4): 1256.91; (7)ACD/KOC (pH 5.5): 5755.47; (8)ACD/KOC (pH 7.4): 5755.47; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 75.09 cm3; (15)Molar Volume: 283.1 cm3; (16)Polarizability: 29.76×10-24cm3; (17)Surface Tension: 32.9 dyne/cm; (18)Density: 0.962 g/cm3; (19)Flash Point: 140.8 °C; (20)Enthalpy of Vaporization: 56.93 kJ/mol; (21)Boiling Point: 327 °C at 760 mmHg; (22)Vapour Pressure: 0.000208 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)CCCCCCCCCCCC(=O)OC
2.InChI: InChI=1/C15H28O4/c1-18-14(16)12-10-8-6-4-3-5-7-9-11-13-15(17)19-2/h3-13H2,1-2H3
3.InChIKey: WWSBQOYADFGDQE-UHFFFAOYAN