Octanoic acid,8-chloro-, ethyl ester supplier

Name
8-CHLORO-OCTANOIC ACID ETHYL ESTER
EINECS
CAS No. 105484-55-7
Article Data2
CAS DataBase
Density 0.991 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₉ClO₂
Boiling Point 251.5 °C at 760 mmHg
Molecular Weight 206.713
Flash Point 107.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 8-chlorooctanoate;8-Chloro-octanoic acid ethyl ester;
PSA 26.30000
LogP 3.12890

Octanoic acid,8-chloro-, ethyl ester 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^-24cm³; (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

Product Name

8-CHLORO-OCTANOIC ACID ETHYL ESTER

Octanoic acid,8-chloro-, ethyl ester Specification

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