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10578-34-4

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Basic Information
CAS No.: 10578-34-4
Name: octadecyl benzoate
Article Data: 11
Molecular Structure:
Molecular Structure of 10578-34-4 (octadecyl benzoate)
Formula: C25H42O2
Molecular Weight: 374.607
Synonyms: 1-Octadecanol,benzoate (6CI);Finsolv PPG 15;Octadecyl benzoate;Stearyl benzoate;Benzoic acid, stearyl ester;
EINECS: 234-169-9
Density: 0.918 g/cm3
Boiling Point: 467.5 °C at 760 mmHg
Flash Point: 197.7 °C
PSA: 26.30000
LogP: 8.10490
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Specification

The Benzoic acid, octadecyl ester, with the CAS registry number 10578-34-4, is also known as Stearyl benzoate. Its EINECS number is 234-169-9. This chemical's molecular formula is C25H42O2 and molecular weight is 374.6. What's more, its systematic name is octadecyl benzoate. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties of Benzoic acid, octadecyl ester are: (1)ACD/LogP: 11.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.23; (4)ACD/BCF (pH 5.5): 1000000; (5)ACD/KOC (pH 5.5): 10000000; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 19; (9)Polar Surface Area: 26.3 Å2; (10)Index of Refraction: 1.484; (11)Molar Refractivity: 116.78 cm3; (12)Molar Volume: 407.9 cm3; (13)Polarizability: 46.29×10-24cm3; (14)Surface Tension: 34.4 dyne/cm; (15)Density: 0.918 g/cm3; (16)Flash Point: 197.7 °C; (17)Enthalpy of Vaporization: 72.95 kJ/mol; (18)Boiling Point: 467.5 °C at 760 mmHg; (19)Vapour Pressure: 6.47E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCCCCCCCCC)c1ccccc1
(2)InChI: InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-25(26)24-21-18-17-19-22-24/h17-19,21-22H,2-16,20,23H2,1H3
(3)InChIKey: KPWVFNOPNOTYNJ-UHFFFAOYSA-N