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| CAS No.: | 2162-99-4 |
|---|---|
| Name: | 1,8-Dichlorooctane |
| Article Data: | 18 |
| Molecular Structure: | |
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|
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| Formula: | C8H16Cl2 |
| Molecular Weight: | 183.121 |
| Synonyms: | 1,8-Dichloroethane;1,8-Dichlorooctane; |
| EINECS: | 218-490-1 |
| Density: | 1.025 |
| Melting Point: | -8 °C |
| Boiling Point: | 241 °C at 760 mmHg |
| Flash Point: | 118 ºC |
| Solubility: | 0.17 g/l (20 c) in water |
| Appearance: | clear, colorless Liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 0.00000 |
| LogP: | 3.80460 |
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Specification
The 1,8-Dichlorooctane, with CAS registry number of 2162-99-4, belongs to the following product categories: (1)alpha,omega-Bifunctional Alkanes; (2)alpha,omega-Dichloroalkanes; (3)Monofunctional & alpha,omega-Bifunctional Alkanes; (4)Alkyl; (5)Halogenated Hydrocarbons; (6)Organic Building Blocks. Its systematic name and its IUPAC name are the same, which is 1,8-dichlorooctane.
Physical properties about this chemical are: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.37; (4)ACD/LogD (pH 7.4): 4.37; (5)ACD/BCF (pH 5.5): 1235.79; (6)ACD/BCF (pH 7.4): 1235.79; (7)ACD/KOC (pH 5.5): 5686.08; (8)ACD/KOC (pH 7.4): 5686.08; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 48.81 cm3; (15)Molar Volume: 183.3 cm3; (16)Polarizability: 19.34×10-24cm3; (17)Surface Tension: 29.4 dyne/cm; (18)Enthalpy of Vaporization: 45.86 kJ/mol; (19)Vapour Pressure: 0.057 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 1,8-Dichlorooctane irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCCCCCCCl
(2)InChI: InChI=1/C8H16Cl2/c9-7-5-3-1-2-4-6-8-10/h1-8H2
(3)InChIKey: WXYMNDFVLNUAIA-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C8H16Cl2/c9-7-5-3-1-2-4-6-8-10/h1-8H2
(5)Std. InChIKey: WXYMNDFVLNUAIA-UHFFFAOYSA-N