p-toluoylphthalate 2-(4-methylbenzoyl)benzoic acid
structural formula
| business number | 01vz |
|---|---|
| molecular formula | c15h12o3 |
| molecular weight | 240.25 |
| label |
2-(4-methylbenzoyl)benzoic acid, 2-(p-toluoyl)benzoic acid, p-toluoylphthalate, 2-(p-toluoyl)benzoic acid, 2-(4-toluoyl)benzoic acid, 2-(4-toluoyl)benzoic acid, ch3c6h4coc6h4co2h |
numbering system
cas number:85-55-2
mdl number:mfcd00020287
einecs number:201-614-3
rtecs number:none
brn number:2111078
pubchem id:none
physical property data
1. physical property data
1. character:those containing one molecule of crystal water are prismatic crystals with a sweet taste,100℃becomes anhydrous
2. density (g/ml ,25/4℃): unsure
3. relative vapor density (g/ml,air=1): unsure
4. melting point (ºc):146℃ (anhydrous substance).
5. boiling point (ºc,normal pressure): unsure
6. boiling point (ºc,5.2kpa): unsure
7. refractive index: unsure
8. flashpoint (ºc): unsure
9. specific optical rotation (º): unsure
10. autoignition point or ignition temperature (ºc): unsure
kpa): unsure
16. oil and water (octanol/log value of water) partition coefficient: uncertain
17. explosion limit (%,v/v): unsure
18. lower explosion limit (%,v/v): unsure
19. solubility:easily soluble in ethanol, benzene, ether, acetone and boiling toluene, slightly soluble in boiling water
toxicological data
none yet
ecological data
none yet
molecular structure data
5. molecular property data:
1. molar refractive index: 67.80
2. molar volume (m3/mol）：196.3
3. isotonic specific volume (90.2k):526.6
4. surface tension (dyne/cm):51.7
5. polarizability（10-24cm3):26.87
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 3
5. number of tautomers: 4
6. topological molecule polar surface area 54.4
7. number of heavy atoms: 18
8. surface charge: 0
9. complexity: 316
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
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5. molecular property data:
1. molar refractive index: 67.80
2. molar volume (m3/mol）：196.3
3. isotonic specific volume (90.2k):526.6
4. surface tension (dyne/cm):51.7
5. polarizability（10-24cm3):26.87
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 3
5. number of tautomers: 4
6. topological molecule polar surface area 54.4
7. number of heavy atoms: 18
8. surface charge: 0
9. complexity: 316
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
n-us style=”font-size: 9pt; font-family: arial”>26.87
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 3
5. number of tautomers: 4
6. topological molecule polar surface area 54.4
7. number of heavy atoms: 18
8. surface charge: 0
9. complexity: 316
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
