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CAS No.: | 70216-75-0 |
---|---|
Name: | 4,4-Diethoxybutan-1-ol |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H18O3 |
Molecular Weight: | 162.229 |
Synonyms: | NSC239517;AC1L7R9J; |
Density: | 0.947 g/cm3 |
Boiling Point: | 219 °C at 760 mmHg |
Flash Point: | 86.2 °C |
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The 4,4-Diethoxybutan-1-ol with CAS registry number of 70216-75-0 is also known as AC1L7R9J. The IUPAC name is 4,4-Diethoxybutan-1-ol. In addition, the formula is and the molecular weight is 162.23.
Other characteristics of the 4,4-Diethoxybutan-1-ol can be summarised as followings: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 27.69 Å2; (7)Index of Refraction: 1.428; (8)Molar Refractivity: 44.09 cm3; (9)Molar Volume: 171.1 cm3; (10)Polarizability: 17.48×10-24cm3; (11)Surface Tension: 30.9 dyne/cm; (12)Density: 0.947 g/cm3; (13)Flash Point: 86.2 °C; (14)Enthalpy of Vaporization: 52.96 kJ/mol; (15)Boiling Point: 219 °C at 760 mmHg; (16)Vapour Pressure: 0.0258 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1.SMILES: O(CC)C(OCC)CCCO
2.InChI: InChI=1/C8H18O3/c1-3-10-8(11-4-2)6-5-7-9/h8-9H,3-7H2,1-2H3
3.InChIKey: SRTYNRIVGWETHR-UHFFFAOYAP