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Cas Database |
| Name |
Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate |
EINECS | N/A |
| CAS No. | 1459-96-7 | Density | 1.206 g/cm3 |
| PSA | 52.60000 | LogP | 1.67300 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H18O4 | Boiling Point | 273.6 °C at 760 mmHg |
| Molecular Weight | 226.273 | Flash Point | 126.968 °C |
| Transport Information | N/A | Appearance | white crystal |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Bicyclo[2.2.2]octane-1,4-dicarboxylicacid, dimethyl ester (7CI,8CI,9CI);Dimethyl 1,4-bicyclo[2.2.2]octanedicarboxylate; |
Article Data | 21 |
Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate Specification
The Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate with the cas number 1459-96-7 is also called Bicyclo[2.2.2]octane-1,4-dicarboxylicacid, 1,4-dimethyl ester. Its molecular formula is C12H18O4. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 52.6 Å2; (7)Index of Refraction: 1.515; (8)Molar Refractivity: 56.64 cm3; (9)Molar Volume: 187.6 cm3; (10)Polarizability: 22.45×10-24cm3; (11)Surface Tension: 48.4 dyne/cm; (12)Enthalpy of Vaporization: 51.2 kJ/mol; (13)Vapour Pressure: 0.00568 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C12CCC(C(=O)OC)(CC1)CC2
(2)InChI: InChI=1/C12H18O4/c1-15-9(13)11-3-6-12(7-4-11,8-5-11)10(14)16-2/h3-8H2,1-2H3
(3)InChIKey: HDOVTVDGSLEUSK-UHFFFAOYAI
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