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68039-69-0

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Basic Information
CAS No.: 68039-69-0
Name: 1-cyclohexylethyl 2-butenoate
Molecular Structure:
Molecular Structure of 68039-69-0 (1-cyclohexylethyl 2-butenoate)
Formula: C12H20O2
Molecular Weight: 196.286
Synonyms: 1-Cyclohexylethyl but-2-enoate;
EINECS: 268-276-7
Density: 0.956 g/cm3
Boiling Point: 261 °C at 760 mmHg
Flash Point: 122.4 °C
PSA: 26.30000
LogP: 3.07450
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Specification

The 2-Butenoicacid, 1-cyclohexylethyl ester, with the CAS registry number 68039-69-0, is also known as 1-Cyclohexylethyl 2-butenoate. Its EINECS registry number is 268-276-7. This chemical's molecular formula is C12H20O2 and molecular weight is 196.286. What's more, its systematic name is 1-Cyclohexylethyl but-2-enoate.

Physical properties about 2-Butenoicacid, 1-cyclohexylethyl ester are: (1)ACD/LogP: 4.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.25; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 26.3 Å2; (9)Index of Refraction: 1.47; (10)Molar Refractivity: 57.26 cm3; (11)Molar Volume: 205.1 cm3; (12)Polarizability: 22.7×10-24 cm3; (13)Surface Tension: 32.5 dyne/cm; (14)Density: 0.956 g/cm3; (15)Flash Point: 122.4 °C; (16)Enthalpy of Vaporization: 49.88 kJ/mol; (17)Boiling Point: 261 °C at 760 mmHg; (18)Vapour Pressure: 0.0118 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC=CC(=O)OC(C)C1CCCCC1
(2) InChI: InChI=1/C12H20O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h3,7,10-11H,4-6,8-9H2,1-2H3
(3) InChIKey: ZNPGEERBEOWCEF-UHFFFAOYAL