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| CAS No.: | 92145-32-9 |
|---|---|
| Name: | 3-Ethoxy-2-methyl-2-propenoic acid ethyl ester |
| Molecular Structure: | |
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| Formula: | C8H14O3 |
| Molecular Weight: | 158.20 |
| Synonyms: | ethyl (2E)-3-ethoxy-2-methylprop-2-enoate; |
| Density: | 0.965g/cm3 |
| Boiling Point: | 197.499 °C at 760 mmHg |
| Flash Point: | 79.114 °C |
| PSA: | 35.53000 |
| LogP: | 1.48980 |
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Specification
The 3-Ethoxy-2-methyl-2-propenoic acid ethyl ester with cas registry number of 92145-32-9, has systematic name is ethyl (2E)-3-ethoxy-2-methylprop-2-enoate.
Physical properties about this chemical are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 177; (8)ACD/KOC (pH 7.4): 177; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 42.532 cm3; (15)Molar Volume: 163.85 cm3; (16)Polarizability: 16.861×10-24cm3; (17)Surface Tension: 28.394 dyne/cm; (18)Enthalpy of Vaporization: 43.37 kJ/mol; (19)Vapour Pressure: 0.377 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)C(\C)=C\OCC;
(2)InChI: InChI=1/C8H14O3/c1-4-10-6-7(3)8(9)11-5-2/h6H,4-5H2,1-3H3/b7-6+;
(3)InChIKey: WZCHIWJCAAITIC-VOTSOKGWBQ;
(4)Std. InChI: InChI=1S/C8H14O3/c1-4-10-6-7(3)8(9)11-5-2/h6H,4-5H2,1-3H3/b7-6+;
(5)Std. InChIKey: WZCHIWJCAAITIC-VOTSOKGWSA-N.