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| CAS No.: | 79887-12-0 |
|---|---|
| Name: | 1-ETHYNYL-4-HEPTYLBENZENE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C15H20 |
| Molecular Weight: | 200.324 |
| Synonyms: | 4-Heptylphenylacetylene; |
| Density: | 0.9 g/cm3 |
| Boiling Point: | 281.5 °C at 760 mmHg |
| Flash Point: | 117.4 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39-37/39 |
| PSA: | 0.00000 |
| LogP: | 4.18080 |
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- Total:9 Page 1 of 1 1
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Specification
The 4-Heptylphenylacetylene, with the CAS registry number 79887-12-0, is also known as 1-Ethynyl-4-heptylbenzene. This chemical's molecular formula is C15H20 and molecular weight is 200.32. Its IUPAC name and systematic name are the same which is called .
Physical properties of 4-Heptylphenylacetylene: (1)ACD/LogP: 6.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.05; (4)ACD/LogD (pH 7.4): 6.05; (5)ACD/BCF (pH 5.5): 23260.2; (6)ACD/BCF (pH 7.4): 23260.2; (7)ACD/KOC (pH 5.5): 46473.75; (8)ACD/KOC (pH 7.4): 46473.75 ; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.507; (11)Molar Refractivity: 66.22 cm3; (12)Molar Volume: 222.3 cm3; (13)Surface Tension: 35.2 dyne/cm; (14)Density: 0.9 g/cm3; (15)Flash Point: 117.4 °C; (16)Enthalpy of Vaporization: 49.94 kJ/mol; (17)Boiling Point: 281.5 °C at 760 mmHg; (18)Vapour Pressure: 0.00604 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: C#Cc1ccc(cc1)CCCCCCC
(2)InChI: InChI=1/C15H20/c1-3-5-6-7-8-9-15-12-10-14(4-2)11-13-15/h2,10-13H,3,5-9H2,1H3
(3)InChIKey: CFWOIXKFXVUJPA-UHFFFAOYAM