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6221-95-0

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Basic Information
CAS No.: 6221-95-0
Name: tetradecyl propionate
Molecular Structure:
Molecular Structure of 6221-95-0 (tetradecyl propionate)
Formula: C17H34O2
Molecular Weight: 270.45
Synonyms: 1-Tetradecanol,propanoate (9CI);1-Tetradecanol, propionate (7CI,8CI);Myristyl propionate;Tetradecyl propanoate;Tetradecyl propionate;n-Tetradecyl propionate;
EINECS: 228-300-9
Density: 0.865 g/cm3
Melting Point: 4.58°C (estimate)
Boiling Point: 319.9 °C at 760 mmHg
Flash Point: 148.8 °C
PSA: 26.30000
LogP: 5.64070
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Specification

The 1-Tetradecanol,1-propanoate, with the CAS registry number 6221-95-0, is also known as Myristyl propionate. Its EINECS number is 228-300-9. This chemical's molecular formula is C17H34O2 and molecular weight is 270.45. What's more, its IUPAC name is tetradecyl propanoate. 

Physical properties of 1-Tetradecanol,1-propanoate are: (1)ACD/LogP: 7.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.62; (4)ACD/BCF (pH 5.5): 361476.59; (5)ACD/KOC (pH 5.5): 331166.75; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 15; (9)Polar Surface Area: 26.3 Å2; (10)Index of Refraction: 1.441; (11)Molar Refractivity: 82.58 cm3; (12)Molar Volume: 312.6 cm3; (13)Polarizability: 32.73×10-24cm3; (14)Surface Tension: 30.2 dyne/cm; (15)Density: 0.865 g/cm3; (16)Flash Point: 148.8 °C; (17)Enthalpy of Vaporization: 56.15 kJ/mol; (18)Boiling Point: 319.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000329 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCOC(=O)CC
(2)InChI: InChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h3-16H2,1-2H3
(3)InChIKey: YRZGMTHQPGNLEK-UHFFFAOYSA-N