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CAS No.: | 55048-55-0 |
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Name: | 1,1,1-TRIETHOXY-3-METHYLBUTANE |
Molecular Structure: | |
Formula: | C11H24O3 |
Molecular Weight: | 204.31 |
Synonyms: | 1,1,1-Triethoxy-3-methyl butane; |
Density: | 0.889 g/cm3 |
Boiling Point: | 214.9 °C at 760 mmHg |
Flash Point: | 74.9 °C |
PSA: | 27.69000 |
LogP: | 2.79580 |
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The Butane,1,1,1-triethoxy-3-methyl-, with the CAS registry number 55048-55-0, is also known as 1,1,1-Triethoxy-3-methyl butane. This chemical's molecular formula is C11H24O3 and molecular weight is 204.3065. What's more, both its IUPAC name and systematic name are the same which is called 1,1,1-Triethoxy-3-methylbutane.
Physical properties about Butane,1,1,1-triethoxy-3-methyl- are: (1)ACD/LogP: 3.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.91; (4)ACD/LogD (pH 7.4): 3.91; (5)ACD/BCF (pH 5.5): 546.85; (6)ACD/BCF (pH 7.4): 546.85; (7)ACD/KOC (pH 5.5): 3172.27; (8)ACD/KOC (pH 7.4): 3172.27; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.42; (14)Molar Refractivity: 58.17 cm3; (15)Molar Volume: 229.6 cm3; (16)Polarizability: 23.06×10-24 cm3; (17)Surface Tension: 26.5 dyne/cm; (18)Density: 0.889 g/cm3 ; (19)Flash Point: 74.9 °C; (20)Enthalpy of Vaporization: 43.29 kJ/mol; (21)Boiling Point: 214.9 °C at 760 mmHg; (22)Vapour Pressure: 0.222 mmHg at 25 °C .
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(OCC)(OCC)CC(C)C
(2) InChI: InChI=1/C11H24O3/c1-6-12-11(13-7-2,14-8-3)9-10(4)5/h10H,6-9H2,1-5H3
(3) InChIKey: GZUFHOUFXUXVHA-UHFFFAOYAV