| Identification | |
| Name: | Propanedioic acid,2-ethyl-2-(1-methylbutyl)-, 1,3-diethyl ester |
| Synonyms: | Malonicacid, ethyl(1-methylbutyl)-, diethyl ester (6CI,7CI,8CI);Malonic acid, ethyl(a-methylbutyl)-, diethyl ester(3CI);Propanedioic acid, ethyl(1-methylbutyl)-, diethyl ester (9CI);NSC 10824; |
| CAS: | 76-72-2 |
| EINECS: | 200-981-7 |
| Molecular Formula: | C14H26O4 |
| Molecular Weight: | 258.3538 |
| InChI: | InChI=1/C14H26O4/c1-6-10-11(5)14(7-2,12(15)17-8-3)13(16)18-9-4/h11H,6-10H2,1-5H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 0.967 g/cm3 |
| Refractive index: | 1.44 |
| Specification: |
The Diethyl ethyl(1-methylbutyl)malonate with the cas number 76-72-2 is also called Propanedioic acid,2-ethyl-2-(1-methylbutyl)-,1,3-diethyl ester. The IUPAC name is diethyl 2-ethyl-2-pentan-2-ylpropanedioate. Its EINECS registry number is 200-981-7. The molecular formula is C14H26O4. The properties of the chemical are: (1)ACD/LogP: 3.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.87; (4)ACD/LogD (pH 7.4): 3.87; (5)ACD/BCF (pH 5.5): 516.85; (6)ACD/BCF (pH 7.4): 516.85; (7)ACD/KOC (pH 5.5): 3046.7; (8)ACD/KOC (pH 7.4): 3046.7; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 70.38 cm3; (15)Molar Volume: 267 cm3; (16)Polarizability: 27.9×10-24cm3; (17)Surface Tension: 31.2 dyne/cm; (18)Enthalpy of Vaporization: 50.56 kJ/mol; (19)Vapour Pressure: 0.00808 mmHg at 25°C. You can still convert the following datas into molecular structure: |
| Safety Data | |
 |
|
