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| CAS No.: | 72468-94-1 |
|---|---|
| Name: | 1-Chloro-3-isopropoxypropane |
| Molecular Structure: | |
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| Formula: | C6H13ClO |
| Molecular Weight: | 136.62 |
| Synonyms: | 3-Chloropropyl isopropyl ether;propane, 1-chloro-3-(1-methylethoxy)-; |
| Density: | 0.937 g/cm3 |
| Boiling Point: | 144 °C at 760 mmHg |
| Flash Point: | 50.7 °C |
| PSA: | 9.23000 |
| LogP: | 2.04030 |
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Specification
The 1-Chloro-3-isopropoxypropane with the cas number 72468-94-1 is also called 3-Chloropropyl isopropyl ether. The systematic name is 1-chloro-3-(1-methylethoxy)propane. Its molecular formula is C6H13ClO. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.37; (6)ACD/BCF (pH 7.4): 13.37; (7)ACD/KOC (pH 5.5): 222.69; (8)ACD/KOC (pH 7.4): 222.69; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.413; (13)Molar Refractivity: 36.39 cm3; (14)Molar Volume: 145.6 cm3; (15)Polarizability: 14.42×10-24cm3; (16)Surface Tension: 25.1 dyne/cm; (17)Enthalpy of Vaporization: 36.54 kJ/mol; (18)Vapour Pressure: 6.53 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)OCCCCl
(2)InChI: InChI=1/C6H13ClO/c1-6(2)8-5-3-4-7/h6H,3-5H2,1-2H3
(3)InChIKey: OYVDATWIUMMRMU-UHFFFAOYAT