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CAS No.: | 42933-14-2 |
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Name: | ethyl (Z)4-methyl-oct-3-enoate |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C11H20O2 |
Molecular Weight: | 184.279 |
Synonyms: | 3-Octenoicacid, 4-methyl-, ethyl ester, (Z)- (9CI);(Z)-Ethyl 4-methyloct-3-enoate; |
EINECS: | 256-007-6 |
Density: | 0.89 g/cm3 |
Boiling Point: | 232 °C at 760 mmHg |
Flash Point: | 79.7 °C |
PSA: | 26.30000 |
LogP: | 3.07610 |
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The 3-Octenoic acid, 4-methyl-, ethyl ester, (3Z)-, with the CAS registry number of 42933-14-2, is also known as (Z)-4-Methyl-3-octenoic acid ethyl ester. Its EINECS registry number is 256-007-6. This chemical's molecular formula is C11H20O2 and molecular weight is 184.2753. What's more, its IUPAC name is Ethyl (Z)-4-methyloct-3-enoate.
Physical properties about 3-Octenoic acid, 4-methyl-, ethyl ester, (3Z)- are: (1)ACD/LogP: 4.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.21; (4)ACD/LogD (pH 7.4): 4.21; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 26.3 Å2; (9)Index of Refraction: 1.441; (10)Molar Refractivity: 54.68 cm3; (11)Molar Volume: 207 cm3; (12)Surface Tension: 28.4 dyne/cm; (13)Density: 0.89 g/cm3; (14)Flash Point: 79.7 °C; (15)Enthalpy of Vaporization: 46.87 kJ/mol; (16)Boiling Point: 232 °C at 760 mmHg; (17)Vapour Pressure: 0.0605 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)CC=C(C)CCCC
(2) InChI: InChI=1/C11H20O2/c1-4-6-7-10(3)8-9-11(12)13-5-2/h8H,4-7,9H2,1-3H3
(3) InChIKey: XHNOQRNNBVTOCM-UHFFFAOYAS