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68480-26-2

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Basic Information
CAS No.: 68480-26-2
Name: TRANS-2-TRIDECENYL ACETATE
Molecular Structure:
Molecular Structure of 68480-26-2 (TRANS-2-TRIDECENYL ACETATE)
Formula: C15H28O2
Molecular Weight: 240.386
Synonyms: (2E)-Tridec-2-en-1-yl acetate;
EINECS: 270-903-4
Density: 0.879 g/cm3
Boiling Point: 309.5 °C at 760 mmHg
Flash Point: 92.8 °C
Appearance: colorless liquid
PSA: 26.30000
LogP: 4.63650
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Specification

The 2-Tridecen-1-ol, 1-acetate, with the CAS registry number 68480-26-2, is also known as (2E)-Tridec-2-en-1-yl acetate. Its EINECS registry number is 270-903-4. This chemical's molecular formula is C15H28O2 and molecular weight is 240.38. What's more, its IUPAC name is [(E)-Tridec-2-enyl] acetate.

Physical properties about 2-Tridecen-1-ol, 1-acetate are: (1)ACD/LogP: 6.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.3; (4)ACD/LogD (pH 7.4): 6.3; (5)ACD/BCF (pH 5.5): 36090.36; (6)ACD/BCF (pH 7.4): 36090.36; (7)ACD/KOC (pH 5.5): 63645.01; (8)ACD/KOC (pH 7.4): 63645.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 73.37 cm3; (15)Molar Volume: 273.2 cm3; (16)Polarizability: 29.08×10-24 cm3; (17)Surface Tension: 30.2 dyne/cm; (18)Density: 0.879 g/cm3; (19)Flash Point: 92.8 °C; (20)Enthalpy of Vaporization: 55.03 kJ/mol; (21)Boiling Point: 309.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000637 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC/C=C/CCCCCCCCCC)C
(2) InChI: InChI=1/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h12-13H,3-11,14H2,1-2H3/b13-12+
(3) InChIKey: UEGGJCHDRZTQMF-OUKQBFOZBU