1,5-Dimethoxypentane 1,5-Dimethoxypentane

Structural formula

Business number	034L
Molecular formula	C7H16O2
Molecular weight	132.20
label	1,5-Pentanediol dimethyl ether, Pentaethylene glycol dimethyl ether, linear compound

• 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:111-89-7

MDL number:MFCD03613608

EINECS number:None

RTECS number:None

BRN number:None

PubChem number:24878765

Physical property data

1. Character: Undetermined

2. Density (g/mL,20℃): 0.843

3. Relative vapor density (g/mL,Air =1): Undetermined

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,normal pressure):161

6. Boiling point (ºC,5.2kPa): Not determined

7. Refractive index: 1.408

8. Flashpoint (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg,25ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined

17. Explosion upper limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 37.96

2. Molar volume (m³/mol）：156.8

3. isotonic specific volume (90.2K):349.9

4. Surface Tension (dyne/cm):24.8

5. Polarizability（10^-24cm³):15.05

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 18.5

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 40.2

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

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

SPAN lang=EN-US style=”FONT-SIZE: 9pt; FONT-FAMILY: Arial”>24.8

5. Polarizability（10^-24cm³):15.05

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 18.5

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 40.2

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

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