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CAS No.: | 1571-86-4 |
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Name: | 1,4-DI-N-BUTYLBENZENE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C14H22 |
Molecular Weight: | 190.329 |
Synonyms: | 1,4-Di-n-butylbenzene;1,4-Dibutylbenzene;Benzene,p-dibutyl- (6CI,7CI,8CI);p-Dibutylbenzene; |
Density: | 0.856 g/cm3 |
Melting Point: | -31 - -30°C |
Boiling Point: | 263.5 °C at 760 mmHg |
Flash Point: | 113 °C |
Safety: | 24/25 |
PSA: | 0.00000 |
LogP: | 4.37180 |
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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