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629-58-3

Basic Information
CAS No.: 629-58-3
Name: Pentadecyl acetate
Article Data: 2
Cas Database
Molecular Structure:
Molecular Structure of 629-58-3 (Pentadecyl acetate)
Formula: C17H34O2
Molecular Weight: 270.45
Synonyms: 1-Pentadecanol acetate;
EINECS: N/A
Density: 0.865 g/cm3
Melting Point: 15 °C
Boiling Point: 312.1 °C at 760 mmHg
Flash Point: 140.2 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 26.30000
LogP: 5.64070
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Specification

The product name and systematic name of this chemical are the same which is called Pentadecyl acetate. This chemical is also known as 1-Pentadecanol acetate which is an organic compound with the formula C17H34O2. It belongs to the product categories of Alcohol Acetates; Esters; Saturated Fatty Acids and Derivatives. Moreover, its CAS registry number is 629-58-3.

Physical properties of pentadecyl acetate: (1)ACD/LogP: 7.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.62; (4)ACD/LogD (pH 7.4): 7.62; (5)ACD/BCF (pH 5.5): 361476.59; (6)ACD/BCF (pH 7.4): 361476.59; (7)ACD/KOC (pH 5.5): 331166.75; (8)ACD/KOC (pH 7.4): 331166.75; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 15; (11)Index of Refraction: 1.441; (12)Molar Refractivity: 82.58 cm3; (13)Molar Volume: 312.6 cm3; (14)Surface Tension: 30.2 dyne/cm; (15)Density: 0.865 g/cm3; (16)Flash Point: 140.2 °C; (17)Enthalpy of Vaporization: 55.31 kJ/mol; (18)Boiling Point: 312.1 °C at 760 mmHg; (19)Vapour Pressure: 0.00054 mmHg at 25°C.

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