| Identification | |
| Name: | Propanedioic acid,2-butyl-, 1,3-dimethyl ester |
| Synonyms: | Propanedioicacid, butyl-, dimethyl ester (9CI);Butylmalonic acid dimethyl ester;Dimethyl2-butylmalonate;Dimethyl butylmalonate;Dimethyl a-butylmalonate; |
| CAS: | 39520-22-4 |
| EINECS: | 254-489-2 |
| Molecular Formula: | C9H16O4 |
| Molecular Weight: | 188.22 |
| InChI: | InChI=1/C9H16O4/c1-4-5-6-7(8(10)12-2)9(11)13-3/h7H,4-6H2,1-3H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.02 g/cm3 |
| Refractive index: | 1.425 |
| Specification: |
The Dimethyl butylmalonate, with the CAS registry number 39520-22-4 and EINECS registry number, has the IUPAC name of dimethyl 2-butylpropanedioate. It is also called Propanedioic acid, butyl-, dimethyl ester. And the molecular formula of the chemical is C9H16O4. The characteristics of Dimethyl butylmalonate are as followings: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 52.6 Å2; (7)Index of Refraction: 1.425; (8)Molar Refractivity: 47.25 cm3; (9)Molar Volume: 184.4 cm3; (10)Polarizability: 18.73×10-24cm3; (11)Surface Tension: 31.5 dyne/cm; (12)Density: 1.02 g/cm3; (13)Flash Point: 97.3 °C; (14)Enthalpy of Vaporization: 45.6 kJ/mol; (15)Boiling Point: 219.6 °C at 760 mmHg; (16)Vapour Pressure: 0.118 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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