Structural formula
| Business number | 027S |
|---|---|
| Molecular formula | C16H14O4 |
| Molecular weight | 270.28 |
| label |
1,2-Bis(benzoyloxy)ethane, Glycol Dibenzoate |
Numbering system
CAS number:94-49-5
MDL number:None
EINECS number:202-338-6
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Characteristics: Undetermined
2. Density (g/mL, 20?): Undetermined
3. Relative vapor density (g/mL, air=1 ): Undetermined
4. Melting point (ºC): 70
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC) , KPa): Not determined
7. Refractive index: Not determined
8. Flash point (ºC): Not determined
9. Specific rotation ( º): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 25ºC): Not determined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined Determined
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: Undetermined
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Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 74.00
2. Molar volume (cm3/mol): 226.1
3. Isotonic specific volume (90.2K ): 592.0
4. Surface tension (dyne/cm): 47.0
5. Polarizability (10-24cm3): 29.33
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 7
5. Number of tautomers: none
6. Topological molecule polar surface area 52.6
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 282
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
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