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66576-26-9

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Basic Information
CAS No.: 66576-26-9
Name: 2,3,4-trimethylpentan-2-ol
Article Data: 3
Cas Database
Molecular Structure:
Molecular Structure of 66576-26-9 (2,3,4-trimethylpentan-2-ol)
Formula: C8H18O
Molecular Weight: 130.23
Synonyms: 2,3,4-trimethylpentan-2-ol
Density: 0.819 g/cm3
Melting Point: -61.15°C (estimate)
Boiling Point: 150.4 °C at 760 mmHg
Flash Point: 50 °C
PSA: 20.23000
LogP: 2.04940
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Specification

The 2-Pentanol,2,3,4-trimethyl- is an organic compound with the formula C8H18O. The IUPAC name of this chemical is 2,3,4-trimethylpentan-2-ol. With the CAS registry number 66576-26-9, it is also named as 2,3,4-Trimethyl-2-pentanol.

Physical properties about 2-Pentanol,2,3,4-trimethyl- are: (1)ACD/LogP: 2.27; (2)ACD/LogD (pH 5.5): 2.27; (3)ACD/LogD (pH 7.4): 2.27; (4)ACD/BCF (pH 5.5): 31.11; (5)ACD/BCF (pH 7.4): 31.11; (6)ACD/KOC (pH 5.5): 407.56; (7)ACD/KOC (pH 7.4): 407.56; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.423; (13)Molar Refractivity: 40.52 cm3; (14)Molar Volume: 158.8 cm3; (15)Polarizability: 16.06×10-24cm3; (16)Surface Tension: 25.4 dyne/cm; (17)Density: 0.819 g/cm3; (18)Flash Point: 50 °C; (19)Enthalpy of Vaporization: 45.11 kJ/mol; (20)Boiling Point: 150.4 °C at 760 mmHg; (21)Vapour Pressure: 1.46 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(C)(C)C(C)C(C)C
(2)InChI: InChI=1/C8H18O/c1-6(2)7(3)8(4,5)9/h6-7,9H,1-5H3
(3)InChIKey: FTPXXARYDFWPGE-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H18O/c1-6(2)7(3)8(4,5)9/h6-7,9H,1-5H3
(5)Std. InChIKey: FTPXXARYDFWPGE-UHFFFAOYSA-N