Tridecanoic acid, butylester supplier

Name
butyl tridecanoate
EINECS 248-931-3
CAS No. 28267-31-4
Article Data5
CAS DataBase
Density 0.865 g/cm³
Solubility
Melting Point
Formula C₁₇H₃₄O₂
Boiling Point 320.3 °C at 760 mmHg
Molecular Weight 270.456
Flash Point 149.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butyltridecanoate;
PSA 26.30000
LogP 5.64070

Tridecanoic acid, butylester Specification

The Tridecanoic acid, butylester, with the CAS registry number 28267-31-4, has EINECS registry number 248-931-3. This chemical's molecular formula is C₁₇H₃₄O₂ and molecular weight is 270.4507. Its systematic name is called butyl tridecanoate.

Physical properties of Tridecanoic acid, butylester: (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: 149.3 °C; (17)Enthalpy of Vaporization: 56.19 kJ/mol; (18)Boiling Point: 320.3 °C at 760 mmHg; (19)Vapour Pressure: 0.000321 mmHg at 25°C.

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

Product Name

butyl tridecanoate

Tridecanoic acid, butylester Specification

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