Basic information
- Name:
Decanoicacid, 10-chloro-, ethyl ester
- CAS No.:
70813-65-9
- Molecular Structure:
- Formula:
- C12H23ClO2
- Molecular Weight:
- 234.76282
- Synonyms:
- ethyl 10-chlorodecanoate;decanoic acid, 10-chloro-, ethyl ester;Ethyl 10-chlorodecanoate;
- EINECS:
- 274-905-6
- Density:
- 0.972 g/cm3
- Boiling Point:
- 291.3 °C at 760 mmHg
- Flash Point:
- 130 °C
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Specification
The Decanoicacid, 10-chloro-, ethyl ester, with the CAS registry number 70813-65-9 and EINECS registry number 274-905-6, has the systematic name and IUPAC name of ethyl 10-chlorodecanoate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C12H23ClO2.
The characteristics of Decanoicacid, 10-chloro-, ethyl ester are as followings: (1)ACD/LogP: 4.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.64; (4)ACD/LogD (pH 7.4): 4.64; (5)ACD/BCF (pH 5.5): 1983.98; (6)ACD/BCF (pH 7.4): 1983.98; (7)ACD/KOC (pH 5.5): 7979.48; (8)ACD/KOC (pH 7.4): 7979.48; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 64.26 cm3; (15)Molar Volume: 241.4 cm3; (16)Polarizability: 25.47×10-24cm3; (17)Surface Tension: 31.6 dyne/cm; (18)Density: 0.972 g/cm3; (19)Flash Point: 130 °C; (20)Enthalpy of Vaporization: 53.07 kJ/mol; (21)Boiling Point: 291.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00197 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClCCCCCCCCCC(=O)OCC
(2)InChI: InChI=1/C12H23ClO2/c1-2-15-12(14)10-8-6-4-3-5-7-9-11-13/h2-11H2,1H3
(3)InChIKey: GTKQAXQUIOBEBP-UHFFFAOYAY