Isopropyl propionate

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:637-78-5

MDL number:MFCD00051553

EINECS number:211-300-8

RTECS number:UF5140000

BRN number:1699921

PubChem ID:None

Physical property data

1. Properties: liquid.

2. Density (g/mL, 25/4℃): 0.8655

3. Relative density (25℃, 4℃): 0.8601

4 . Refractive index at room temperature (n²⁵): 1.3879

5. Boiling point (ºC, normal pressure): 110

6. Refractive index at room temperature (n²⁰): 1.3891

7. Refractive index: 1.3885

8. Flash point (ºC): 15

9. Specific rotation Degree (º): Undetermined

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

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

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

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

14. Critical temperature (ºC) : Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

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

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Slightly soluble in water.

Toxicological data

None

Ecological data

Do not allow undiluted or large quantities of products that are slightly hazardous to water to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 31.57

2. Molar volume (cm³/mol): 131.4

3. Isotonic specific volume (90.2K ): 292.9

4. Surface tension (dyne/cm): 24.6

5. Polarizability (10^-24cm³): 12.51

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.4

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 76.6

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

Keep away from oxides.

Storage method

Store in an airtight container in a cool, dry place. Store away from oxidizing agents.

Synthesis method

None

Purpose

None

Resource:allhdi.com