3-methyl-2-pentanol

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:565-60-6

MDL number:MFCD00004528

EINECS number:209-281-6

RTECS number:None

BRN number:None

PubChem number:24847012

Physical property data

1. Physical property data

1. Density: 0.831 g/mL at 25 °C (lit.

2. Refractive index: n20 /D 1.548(lit.)

3. Flash point (ºC): 105 °F

4. Boiling point (ºC): 134.2

5. Relative Density (20℃, 4℃): 0.8291

6. Refractive index at room temperature (n²⁰): 1.4197

7. Relative density (25℃, 4℃): 0.8248

8. Normal temperature refractive index (n²⁵): 1.4179

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 31.29

2. Molar volume (cm³/mol): 125.8

3. Isotonic specific volume (90.2K): 282.3

4. Surface tension (dyne/cm): 25.3

5. Polarizability (10^-24cm³): 12.40

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.7

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 43.4

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 2

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None