Basic Information | Post buying leads | Suppliers |
Name |
Phenol, 2,6-dinonyl- |
EINECS | 259-340-5 |
CAS No. | 54773-22-7 | Density | 0.901 g/cm3 |
PSA | 20.23000 | LogP | 7.97840 |
Solubility | N/A | Melting Point |
N/A |
Formula | C24H42O | Boiling Point | 448.4 °C at 760 mmHg |
Molecular Weight | 346.58968 | Flash Point | 211.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,6-Dinonylphenol; |
The Phenol, 2,6-dinonyl-, with the CAS registry number 54773-22-7, is also known as 2,6-Dinonylphenol. Its EINECS registry number is 259-340-5. This chemical's molecular formula is C24H42O and molecular weight is 346.58968. Its IUPAC name is called 2,6-di(nonyl)phenol.
Physical properties of Phenol, 2,6-dinonyl-: (1)ACD/LogP: 10.90; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.9; (4)ACD/LogD (pH 7.4): 10.9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 17; (12)Index of Refraction: 1.494; (13)Molar Refractivity: 112.09 cm3; (14)Molar Volume: 384.5 cm3; (15)Surface Tension: 34.5 dyne/cm; (16)Density: 0.901 g/cm3; (17)Flash Point: 211.5 °C; (18)Enthalpy of Vaporization: 73.41 kJ/mol; (19)Boiling Point: 448.4 °C at 760 mmHg; (20)Vapour Pressure: 1.17E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCC1=C(C(=CC=C1)CCCCCCCCC)O
(2)InChI: InChI=1S/C24H42O/c1-3-5-7-9-11-13-15-18-22-20-17-21-23(24(22)25)19-16-14-12-10-8-6-4-2/h17,20-21,25H,3-16,18-19H2,1-2H3
(3)InChIKey: CVIAERHUEXHJNW-UHFFFAOYSA-N