diphenyl phthalate diphenyl phthalate
structural formula
| business number | 01uw |
|---|---|
| molecular formula | c20h14o4 |
| molecular weight | 318.32 |
| label |
diphenyl 1,2-phthalate, diphenyl phthalate, c6h4(cooc6h5)6, c6h4-1,2-(co2c6h5)2 |
numbering system
cas number:84-62-8
mdl number:mfcd00003038
einecs number:201-546-4
rtecs number:ti1935000
brn number:2473390
pubchem number:24862624
physical property data
1. physical property data
1. character: white crystal, odorless , irritating
2. density (g/ml,25/4℃):1.572
3. relative vapor density (g/ml,air=1): unsure
4. melting point (ºc):70~73℃
5. boiling point (ºc,normal pressure):225℃（1.86kpa).
6. boiling point (ºc,5.2kpa): unsure
7. refractive index:1.572
8. flash point (ºc):224℃
9. specific optical rotation (º): unsure
10. autoignition point or ignition temperature (ºc): unsure
rat caliber ld50: 8mg/kg
ecological data
none yet
molecular structure data
5. molecular property data:
1. molar refractive index: 89.54
2. molar volume (m3/mol）：256.2
3. isotonic specific volume (90.2k):682.0
4. surface tension (dyne/cm):50.1
5. polarizability（10-24cm3):35.49
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: 6
5. number of tautomers: none
6. topological molecule polar surface area 52.6
7. number of heavy atoms: 24
8. surface charge: 0
9. complexity: 381
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 yet
storage method
none yet
synthesis method
none yet
purpose
none yet
-family: 宋体; mso-bidi-font-family: arial; mso-ascii-font-family: ‘times new roman’; mso-hansi-font-family: ‘times new roman'”>（10-24cm3): 35.49
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: 6
5. number of tautomers: none
6. topological molecule polar surface area 52.6
7. number of heavy atoms: 24
8. surface charge: 0
9. complexity: 381
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 yet
storage method
none yet
synthesis method
none yet
purpose
none yet
