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| CAS No.: | 85168-87-2 |
|---|---|
| Name: | 1-(2,2-dimethoxyethoxy)butane |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H18O3 |
| Molecular Weight: | 162.229 |
| Synonyms: | Einecs 285-929-1;1-(2,2-Dimethoxyethoxy)butane; |
| EINECS: | 285-929-1 |
| Density: | 0.901 g/cm3 |
| Boiling Point: | 180.9 °C at 760 mmHg |
| Flash Point: | 59.6 °C |
| PSA: | 27.69000 |
| LogP: | 1.42200 |
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Specification
The CAS registry number of Butane,1-(2,2-dimethoxyethoxy)- is 85168-87-2. Its EINECS registry number is 285-929-1. This chemical's molecular formula is C8H18O3 and molecular weight is 162.22672. What's more, both its IUPAC name and systematic name are the same which is called 1-(2,2-Dimethoxyethoxy)butane.
Physical properties about Butane,1-(2,2-dimethoxyethoxy)- are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.27; (5)ACD/BCF (pH 5.5): 5.39; (6)ACD/BCF (pH 7.4): 5.39; (7)ACD/KOC (pH 5.5): 116.25; (8)ACD/KOC (pH 7.4): 116.25; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.406; (14)Molar Refractivity: 44.3 cm3; (15)Molar Volume: 180 cm3; (16)Polarizability: 17.56×10-24 cm3; (17)Surface Tension: 26 dyne/cm; (18)Density: 0.901 g/cm3; (19)Flash Point: 59.6 °C; (20)Enthalpy of Vaporization: 40.01 kJ/mol; (21)Boiling Point: 180.9 °C at 760 mmHg; (22)Vapour Pressure: 1.19 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(CCCC)CC(OC)OC
(2) InChI: InChI=1/C8H18O3/c1-4-5-6-11-7-8(9-2)10-3/h8H,4-7H2,1-3H3
(3) InChIKey: NKPXTNPNZFWDCL-UHFFFAOYAO