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CAS No.: | 17229-14-0 |
---|---|
Name: | Ethyl 2-chloroethoxyl acetic acid |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C6H11ClO3 |
Molecular Weight: | 166.605 |
Synonyms: | Aceticacid, (2-chloroethoxy)-, ethyl ester (7CI,8CI,9CI);(2-Chloroethoxy)acetic acidethyl ester;1-Chloro-2-(ethoxycarbonylmethoxy)ethane; |
EINECS: | 605-630-5 |
Density: | 1.12 g/cm3 |
Boiling Point: | 228.192 °C at 760 mmHg |
Flash Point: | 95.562 °C |
PSA: | 35.53000 |
LogP: | 0.80490 |
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The Aceticacid, 2-(2-chloroethoxy)-, ethyl ester, with CAS registry number 17229-14-0, has the systematic name of ethyl (2-chloroethoxy)acetate. And the chemical formula of this chemical is C6H11ClO3. Its molecular weight is 166.6027.
Physical properties of Aceticacid, 2-(2-chloroethoxy)-, ethyl ester: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 104; (8)ACD/KOC (pH 7.4): 104; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 38.215 cm3; (15)Molar Volume: 148.805 cm3; (16)Polarizability: 15.15×10-24cm3; (17)Surface Tension: 31.921 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 95.562 °C; (20)Enthalpy of Vaporization: 46.478 kJ/mol; (21)Boiling Point: 228.192 °C at 760 mmHg; (22)Vapour Pressure: 0.074 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)COCCCl
(2)InChI: InChI=1/C6H11ClO3/c1-2-10-6(8)5-9-4-3-7/h2-5H2,1H3
(3)InChIKey: CVYKQPLWSDHSSV-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H11ClO3/c1-2-10-6(8)5-9-4-3-7/h2-5H2,1H3
(5)Std. InChIKey: CVYKQPLWSDHSSV-UHFFFAOYSA-N