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Name |
1,3,5-Heptatriene,(3E,5E)- |
EINECS | N/A |
CAS No. | 17679-93-5 | Density | 0.744 g/cm3 |
PSA | 0.00000 | LogP | 2.30470 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H10 | Boiling Point | 113.5 °C at 760 mmHg |
Molecular Weight | 94.1564 | Flash Point | 4.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,3,5-Heptatriene,(E,E)- (8CI);all-trans-1,3,5-Heptatriene;trans,trans-1,3,5-Heptatriene; |
Article Data | 9 |
The 1,3,5-Heptatriene,(3E,5E)- is an organic compound with the formula C7H10. The IUPAC name of this chemical is (3E,5E)-Hepta-1,3,5-triene. With the CAS registry number 17679-93-5, it is also named as 1,3,5-Heptatriene. Besides, its molecular weight is 94.15.
Physical properties about 1,3,5-Heptatriene,(3E,5E)- are: (1)ACD/LogP: 2.93; (2)#Freely Rotating Bonds: 2; (3)Index of Refraction: 1.455; (4)Molar Refractivity: 34.31 cm3; (5)Molar Volume: 126.4 cm3; (6)Polarizability: 13.6×10-24 cm3; (7)Surface Tension: 22 dyne/cm; (8)Density: 0.744 g/cm3; (9)Flash Point: 4.8 °C; (10)Enthalpy of Vaporization: 33.74 kJ/mol; (11)Boiling Point: 113.5 °C at 760 mmHg; (12)Vapour Pressure: 24.5 mmHg at 25 °C.
Preparation: this chemical can be prepared by Hepta-1,5-dien-4-ol. This reaction will need reagent Methyltriphenoxyphosphonium iodide and solvent Hexamethylphosphoric acid triamide. The reaction time is 2 hours with reaction temperature of 50-60 °C. The yield is about 65%.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H10/c1-3-5-7-6-4-2/h3-7H,1H2,2H3/b6-4+,7-5+
(2)InChIKey: USKZHEQYENVSMH-YDFGWWAZBM
(3)Std. InChI: InChI=1S/C7H10/c1-3-5-7-6-4-2/h3-7H,1H2,2H3/b6-4+,7-5+
(4)Std. InChIKey: USKZHEQYENVSMH-YDFGWWAZSA-N