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| CAS No.: | 105484-55-7 |
|---|---|
| Name: | 8-CHLORO-OCTANOIC ACID ETHYL ESTER |
| Article Data: | 2 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C10H19ClO2 |
| Molecular Weight: | 206.713 |
| Synonyms: | Ethyl 8-chlorooctanoate;8-Chloro-octanoic acid ethyl ester; |
| Density: | 0.991 g/cm3 |
| Boiling Point: | 251.5 °C at 760 mmHg |
| Flash Point: | 107.5 °C |
| PSA: | 26.30000 |
| LogP: | 3.12890 |
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Specification
The Octanoic acid,8-chloro-, ethyl ester, with the CAS registry number 105484-55-7, is also known as 8-Chloro-octanoic acid ethyl ester. This chemical's molecular formula is C10H19ClO2 and molecular weight is 206.71. What's more, its systematic name is Ethyl 8-chlorooctanoate.
Physical properties of Octanoic acid,8-chloro-, ethyl ester are: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.58; (5)ACD/BCF (pH 5.5): 308.95; (6)ACD/BCF (pH 7.4): 308.95; (7)ACD/KOC (pH 5.5): 2107.98; (8)ACD/KOC (pH 7.4): 2107.98; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 55 cm3; (15)Molar Volume: 208.4 cm3; (16)Polarizability: 21.8×10-24 cm3; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 0.991 g/cm3; (19)Flash Point: 107.5 °C; (20)Enthalpy of Vaporization: 48.88 kJ/mol; (21)Boiling Point: 251.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0204 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)CCCCCCCCl
(2)InChI: InChI=1S/C10H19ClO2/c1-2-13-10(12)8-6-4-3-5-7-9-11/h2-9H2,1H3
(3)InChIKey: HNHPPZMCJLFGRP-UHFFFAOYSA-N