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| CAS No.: | 39604-97-2 |
|---|---|
| Name: | 4-n-Propoxyphenylacetylene |
| Molecular Structure: | |
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| Formula: | C11H12O |
| Molecular Weight: | 160.216 |
| Synonyms: | 1-Ethynyl-4-propoxybenzene;4-Propoxyphenylacetylene; |
| Density: | 0.98 g/cm3 |
| Boiling Point: | 234.2 °C at 760 mmHg |
| Flash Point: | 88.6 °C |
| Hazard Symbols: |
 Xi
|
| Safety: | 24/25 |
| PSA: | 9.23000 |
| LogP: | 2.45670 |
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Specification
The 1-Eth-1-ynyl-4-propoxybenzene with its cas register number is 39604-97-2. It also can be called as 4-n-Propoxyphenylacetylene and the Systematic name about this chemical is 1-ethynyl-4-propoxybenzene. When you are using it, please avoid contact with skin and eyes.
Physical properties about 1-Eth-1-ynyl-4-propoxybenzene are: (1)ACD/LogP: 3.38; (2)ACD/LogD (pH 5.5): 3.38; (3)ACD/LogD (pH 7.4): 3.38; (4)ACD/BCF (pH 5.5): 217.44; (5)ACD/BCF (pH 7.4): 217.44; (6)ACD/KOC (pH 5.5): 1639.34; (7)ACD/KOC (pH 7.4): 1639.34; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 9.23Å2; (11)Index of Refraction: 1.518; (12)Molar Refractivity: 49.44 cm3; (13)Molar Volume: 163 cm3; (14)Polarizability: 19.59x10-24cm3; (15)Surface Tension: 36.9 dyne/cm; (16)Enthalpy of Vaporization: 45.18 kJ/mol; (17)Vapour Pressure: 0.0819 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(C#C)cc1)CCC
(2)InChI: InChI=1/C11H12O/c1-3-9-12-11-7-5-10(4-2)6-8-11/h2,5-8H,3,9H2,1H3
(3)InChIKey: NMKZRVMAECEGMV-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C11H12O/c1-3-9-12-11-7-5-10(4-2)6-8-11/h2,5-8H,3,9H2,1H3
(5)Std. InChIKey: NMKZRVMAECEGMV-UHFFFAOYSA-N