Basic information
- Name:
1-Hepten-3-yne
- CAS No.:
2384-73-8
- Molecular Structure:
- Formula:
- C7H10
- Molecular Weight:
- 94.1543
- Density:
- 0.768 g/cm3
- Boiling Point:
- 112.8 °C at 760 mmHg
- Flash Point:
- 8.2 °C
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Specification
The CAS registry number of 1-Hepten-3-yne is 2384-73-8. This chemical's molecular formula is C7H10 and molecular weight is 94.1543. Its systematic name is called hept-1-en-3-yne.
Physical properties of 1-Hepten-3-yne: (1)ACD/LogP: 3.03; (2)ACD/LogD (pH 5.5): 3.03; (3)ACD/LogD (pH 7.4): 3.03; (4)ACD/BCF (pH 5.5): 118.14; (5)ACD/BCF (pH 7.4): 118.14; (6)ACD/KOC (pH 5.5): 1059.33; (7)ACD/KOC (pH 7.4): 1059.33; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.438; (10)Molar Refractivity: 32.2 cm3; (11)Molar Volume: 122.4 cm3; (12)Surface Tension: 26.4 dyne/cm; (13)Density: 0.768 g/cm3; (14)Flash Point: 8.2 °C; (15)Enthalpy of Vaporization: 33.68 kJ/mol; (16)Boiling Point: 112.8 °C at 760 mmHg; (17)Vapour Pressure: 25.3 mmHg at 25°C.
Preparation of 1-Hepten-3-yne: this chemical can be prepared by (1-Cyclobutylcarbonyl-butyliden)-triphenylphosphoran. This reaction temperature is 800 - 850 °C. The yield is about 81%.
You can still convert the following datas into molecular structure:
(1)SMILES: C(#CCCC)\C=C
(2)InChI: InChI=1/C7H10/c1-3-5-7-6-4-2/h3H,1,4,6H2,2H3
(3)InChIKey: NKFFXBOEFRCFFG-UHFFFAOYAM
