Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzene, 1,4-dibutyl- |
EINECS | N/A |
CAS No. | 1571-86-4 | Density | 0.856 g/cm3 |
PSA | 0.00000 | LogP | 4.37180 |
Solubility | N/A | Melting Point |
-31 - -30°C |
Formula | C14H22 | Boiling Point | 263.5 °C at 760 mmHg |
Molecular Weight | 190.329 | Flash Point | 113 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,4-Di-n-butylbenzene;1,4-Dibutylbenzene;Benzene,p-dibutyl- (6CI,7CI,8CI);p-Dibutylbenzene; |
Article Data | 12 |
The Benzene, 1,4-dibutyl-, with the CAS registry number 1571-86-4, is also known as 1,4-Di-tert-butylbenzene. This chemical's molecular formula is C14H22 and molecular weight is 190.32448. Its IUPAC name is called 1,4-dibutylbenzene. When you are using this chemical, please be cautious about it. You must avoid contacting it with skin and eyes.
Physical properties of Benzene, 1,4-dibutyl-: (1)ACD/LogP: 6.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.33; (4)ACD/LogD (pH 7.4): 6.33; (5)ACD/BCF (pH 5.5): 37858.98; (6)ACD/BCF (pH 7.4): 37858.98; (7)ACD/KOC (pH 5.5): 65862.3; (8)ACD/KOC (pH 7.4): 65862.3; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.489; (11)Molar Refractivity: 63.88 cm3; (12)Molar Volume: 221 cm3; (13)Surface Tension: 30.5 dyne/cm; (14)Density: 0.86 g/cm3; (15)Flash Point: 113 °C; (16)Enthalpy of Vaporization: 48.12 kJ/mol; (17)Boiling Point: 263.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0167 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC1=CC=C(C=C1)CCCC
(2)InChI: InChI=1S/C14H22/c1-3-5-7-13-9-11-14(12-10-13)8-6-4-2/h9-12H,3-8H2,1-2H3
(3)InChIKey: VGQOZYOOFXEGDA-UHFFFAOYSA-N