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CAS No.: | 33933-74-3 |
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Name: | 4-Ethyl-3-heptene |
Molecular Structure: | |
Formula: | C9H18 |
Molecular Weight: | 126.242 |
Synonyms: | 4-Propyl-3-hexene; |
Density: | 0.74 g/cm3 |
Boiling Point: | 144.8 °C at 760 mmHg |
Flash Point: | 22.5 °C |
PSA: | 0.00000 |
LogP: | 3.53290 |
The 3-Heptene,4-ethyl-, with the CAS registry number 33933-74-3, is also known as 4-Ethyl-3-heptene. This chemical's molecular formula is C9H18 and molecular weight is 126.24. What's more, its IUPAC name is (E)-4-ethylhept-3-ene.
Physical properties of 3-Heptene,4-ethyl- are: (1)ACD/LogP: 5.04; (2)# of Rule of 5 Violations: 1; (3)#Freely Rotating Bonds: 4; (4)Index of Refraction: 1.425; (5)Molar Refractivity: 43.64 cm3; (6)Molar Volume: 170.5 cm3; (7)Polarizability: 17.3×10-24cm3; (8)Surface Tension: 23 dyne/cm; (9)Density: 0.74 g/cm3; (10)Flash Point: 22.5 °C; (11)Enthalpy of Vaporization: 36.61 kJ/mol; (12)Boiling Point: 144.8 °C at 760 mmHg; (13)Vapour Pressure: 6.3 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC(=CCC)CC
(2)Isomeric SMILES: CCC/C(=C/CC)/CC
(3)InChI: InChI=1S/C9H18/c1-4-7-9(6-3)8-5-2/h7H,4-6,8H2,1-3H3/b9-7+
(4)InChIKey: UEXWGMADXSUAIL-VQHVLOKHSA-N