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67233-91-4

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Basic Information
CAS No.: 67233-91-4
Name: 9-Decenoic acid, ethyl ester
Article Data: 11
Molecular Structure:
Molecular Structure of 67233-91-4 (9-Decenoic acid, ethyl ester)
Formula: C12H22O2
Molecular Weight: 198.305
Synonyms: Ethyl dec-9-enoate;
Density: 0.88 g/cm3
Boiling Point: 250.2 °C at 760 mmHg
Flash Point: 100.8 °C
PSA: 26.30000
LogP: 3.46620
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Specification

The 9-Decenoic acid, ethyl ester has the CAS registry number 67233-91-4. This chemical's molecular formula is C12H22O2 and molecular weight is 198.30. What's more, its systematic name is ethyl dec-9-enoate.

Physical properties of 9-Decenoic acid, ethyl ester are: (1)ACD/LogP: 4.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.45; (4)ACD/LogD (pH 7.4): 4.45; (5)ACD/BCF (pH 5.5): 1416.9; (6)ACD/BCF (pH 7.4): 1416.9; (7)ACD/KOC (pH 5.5): 6270.86; (8)ACD/KOC (pH 7.4): 6270.86; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 59.14 cm3; (15)Molar Volume: 225.1 cm3; (16)Polarizability: 23.44×10-24cm3; (17)Surface Tension: 29.1 dyne/cm; (18)Density: 0.88 g/cm3; (19)Flash Point: 100.8 °C; (20)Enthalpy of Vaporization: 48.75 kJ/mol; (21)Boiling Point: 250.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0219 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CCCCCCC\C=C
(2)Std. InChI: InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3H,1,4-11H2,2H3
(3)Std. InChIKey: BKOJTZORTHALGP-UHFFFAOYSA-N