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CAS No.: | 31038-06-9 |
---|---|
Name: | 1,1-DICHLOROCYCLOPENTANE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C5H8Cl2 |
Molecular Weight: | 139.02 |
Synonyms: | 1,1-Dichlorocyclopentane;cyclopentane, dichloro-; |
Density: | 1.19 g/cm3 |
Boiling Point: | 161.8 °C at 760 mmHg |
Flash Point: | 55.4 °C |
PSA: | 0.00000 |
LogP: | 2.73430 |
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The Cyclopentane,1,1-dichloro-, with the CAS registry number 31038-06-9, is also known as Cyclopentane, dichloro-. This chemical's molecular formula is C5H8Cl2 and molecular weight is 139.02. What's more, its systematic name is 1,1-dichlorocyclopentane.
Physical properties of Cyclopentane,1,1-dichloro- are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 30.96; (6)ACD/BCF (pH 7.4): 30.96; (7)ACD/KOC (pH 5.5): 406.17; (8)ACD/KOC (pH 7.4): 406.17; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 32.82 cm3; (15)Molar Volume: 115.9 cm3; (16)Polarizability: 13.01×10-24 cm3; (17)Surface Tension: 31.5 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 55.4 °C; (20)Enthalpy of Vaporization: 38.19 kJ/mol; (21)Boiling Point: 161.8 °C at 760 mmHg; (22)Vapour Pressure: 2.92 mmHg at 25°C.
Preparation: this chemical can be prepared by cyclopentanone oxime. This reaction will need reagents Cl2, AlCl3 and solvent CH2Cl2. The yield is about 68%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: ClC1(Cl)CCCC1
(2)InChI: InChI=1/C5H8Cl2/c6-5(7)3-1-2-4-5/h1-4H2
(3)InChIKey: XZBCEESOMMQJJD-UHFFFAOYAR