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Cas Database |
| Name |
Propanedioic acid,2-(chloromethylene)-, 1,3-diethyl ester |
EINECS | N/A |
| CAS No. | 28783-51-9 | Density | 1.198 g/cm3 |
| PSA | 52.60000 | LogP | 1.23530 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H11ClO4 | Boiling Point | 210.5 °C at 760 mmHg |
| Molecular Weight | 206.626 | Flash Point | 74 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Malonicacid, (chloromethylene)-, diethyl ester (8CI);Propanedioic acid,(chloromethylene)-, diethyl ester (9CI);Chloromethylidenemalonic acid diethylester;Diethyl (chloromethylene)malonate;Diethyl (chloromethylidene)malonate;2-Chloromethylene-malonic acid diethyl ester; |
Article Data | 5 |
Propanedioic acid,2-(chloromethylene)-, 1,3-diethyl ester Specification
The Propanedioic acid,2-(chloromethylene)-, 1,3-diethyl ester, with the CAS registry number 28783-51-9, is also known as 2-Chloromethylene-malonic acid diethyl ester. This chemical's molecular formula is C8H11ClO4 and formula weight is 206.62. What's more, its systematic name is diethyl (chloromethylidene)propanedioate.
Physical properties of Propanedioic acid,2-(chloromethylene)-, 1,3-diethyl ester are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/BCF (pH 5.5): 14.64; (5)ACD/KOC (pH 5.5): 237.61; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 52.6 Å2; (10)Index of Refraction: 1.462; (11)Molar Refractivity: 47.41 cm3; (12)Molar Volume: 172.3 cm3; (13)Surface Tension: 35.8 dyne/cm; (14)Density: 1.198 g/cm3; (15)Flash Point: 74 °C; (16)Enthalpy of Vaporization: 44.68 kJ/mol; (17)Boiling Point: 210.5 °C at 760 mmHg; (18)Vapour Pressure: 0.192 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)\C(=C\Cl)C(=O)OCC
(2)InChI: InChI=1S/C8H11ClO4/c1-3-12-7(10)6(5-9)8(11)13-4-2/h5H,3-4H2,1-2H3
(3)InChIKey: PRHVDTPQGCSBCY-UHFFFAOYSA-N
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