-
Name
2-[2-[2-(tridecyloxy)ethoxy]ethoxy]ethanol
- EINECS 224-540-3
- CAS No. 4403-12-7
- Article Data1
- CAS DataBase
- Density 0.926 g/cm3
- Solubility
- Melting Point
- Formula C19H40O4
- Boiling Point 425.9 °C at 760 mmHg
- Molecular Weight 332.524
- Flash Point 211.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-[2-[2-(Tridecyloxy)ethoxy]ethoxy]ethanol;Triethylene glycol monotridecyl ether;
- PSA 47.92000
- LogP 4.33950
Ethanol,2-[2-[2-(tridecyloxy)ethoxy]ethoxy]- Specification
The Ethanol, 2-[2-[2-(tridecyloxy)ethoxy]ethoxy]-, with the CAS registry number of 4403-12-7, is also known as Triethylene glycol monotridecyl ether. Its EINECS registry number is 224-540-3. This chemical's molecular formula is C19H40O4 and molecular weight is 332.5185. What's more, its IUPAC name is 2-[2-(2-Tridecoxyethoxy)ethoxy]ethanol.
Physical properties about Ethanol, 2-[2-[2-(tridecyloxy)ethoxy]ethoxy]- are: (1)ACD/LogP: 4.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.86; (4)ACD/LogD (pH 7.4): 4.86; (5)ACD/BCF (pH 5.5): 2920.87; (6)ACD/BCF (pH 7.4): 2920.87; (7)ACD/KOC (pH 5.5): 10524.67; (8)ACD/KOC (pH 7.4): 10524.67; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 96.84 cm3; (15)Molar Volume: 358.7 cm3; (16)Surface Tension: 33.6 dyne/cm; (17)Density: 0.926 g/cm3; (18)Flash Point: 211.4 °C; (19)Enthalpy of Vaporization: 78.6 kJ/mol; (20)Boiling Point: 425.9 °C at 760 mmHg; (21)Vapour Pressure: 4.87E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCCOCCOCCOCCCCCCCCCCCCC
(2) InChI: InChI=1/C19H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-21-16-18-23-19-17-22-15-13-20/h20H,2-19H2,1H3
(3) InChIKey: KLFVDTRVIFNWIH-UHFFFAOYAD
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