-
Name
1-Myristoyl-3-chloropropanediol
- EINECS
- CAS No. 30557-03-0
- Article Data6
- CAS DataBase
- Density 0.997 g/cm3
- Solubility
- Melting Point
- Formula C17H33ClO3
- Boiling Point 417.045 °C at 760 mmHg
- Molecular Weight 320.9
- Flash Point 206.022 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-MYRISTOYL-3-CHLOROPROPANEDIOL;rac 1-Myristoyl-3-chloropropanediol;Myristic Acid 3-Chloro-2-hydroxypropyl Ester;Tetradecanoic Acid 3-Chloro-2-hydroxypropyl Ester
- PSA 46.53000
- LogP 4.83040
1-Myristoyl-3-chloropropanediol Specification
The cas register number of 1-Myristoyl-3-chloropropanediol is 30557-03-0. The Systematic name about this chemical is (3-chloro-2-hydroxy-propyl) tetradecanoate. Its chemical Properties is White Low-Melting Solid.
Physical properties about 1-Myristoyl-3-chloropropanediol are: storage temp: (1)ACD/LogP: 6.15 ; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 6.147 ; (4)ACD/LogD (pH 7.4): 6.147 ; (5)ACD/BCF (pH 5.5): 27663.365; (6)ACD/BCF (pH 7.4): 27663.244; (7)ACD/KOC (pH 5.5): 52613.879; (8)ACD/KOC (pH 7.4): 52613.648; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 88.925 cm3; (15)Molar Volume: 321.9 cm3; (16)Surface Tension: 35.508 dyne/cm; (17)Density: 0.997 g/cm3; (18)Flash Point: 206.022 °C; (19)Enthalpy of Vaporization: 77.44 kJ/mol; (20)Boiling Point: 417.045 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: CCCCCCCCCCCCCC(=O)OCC(CCl)O
2.InChI: InChI=1/C17H33ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h16,19H,2-15H2,1H3
3.InChIKey: WRPWLPGSBUPQNC-UHFFFAOYAW
4.Std. InChI: InChI=1S/C17H33ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h16,19H,2-15H2,1H3.
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