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CAS No.: | 31930-37-7 |
---|---|
Name: | Ethyl (E)-3-iodoacrylate |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C5H7IO2 |
Molecular Weight: | 226.014 |
Synonyms: | Ethyl (E)-b-iodoacrylate;Ethyl trans-3-iodoacrylate;Ethyl (E)-3-iodoacrylate;(E)-3-Iodo-2-propenoic acidethyl ester;(2E)-3-Iodo-2-propenoic acid ethyl ester;Acrylic acid, 3-iodo-, ethyl ester, (E)-(8CI);2-Propenoicacid, 3-iodo-, ethyl ester, (E)-;(2E)-3-iodoprop-2-enoate; |
Density: | 1.779 g/cm3 |
Boiling Point: | 198.5 °C at 760 mmHg |
Flash Point: | 73.8 °C |
PSA: | 26.30000 |
LogP: | 1.49820 |
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The 2-Propenoic acid,3-iodo-, ethyl ester, (2E)-, with the CAS registry number 31930-37-7, is also known as Ethyl (E)-3-iodoacrylate. This chemical's molecular formula is C5H7IO2 and molecular weight is 226.01. What's more, its systematic name is Ethyl (2E)-3-iodoprop-2-enoate.
Physical properties of 2-Propenoic acid,3-iodo-, ethyl ester, (2E)- are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 23.41; (6)ACD/BCF (pH 7.4): 23.41; (7)ACD/KOC (pH 5.5): 332.58; (8)ACD/KOC (pH 7.4): 332.58; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 40.01 cm3; (15)Molar Volume: 126.9 cm3; (16)Polarizability: 15.86×10-24 cm3; (17)Surface Tension: 38.8 dyne/cm; (18)Density: 1.779 g/cm3; (19)Flash Point: 73.8 °C; (20)Enthalpy of Vaporization: 43.47 kJ/mol; (21)Boiling Point: 198.5 °C at 760 mmHg; (22)Vapour Pressure: 0.359 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: I\C=C\C(=O)OCC
(2)InChI: InChI=1S/C5H7IO2/c1-2-8-5(7)3-4-6/h3-4H,2H2,1H3/b4-3+
(3)InChIKey: AELYFQSZXFFNGP-ONEGZZNKSA-N