structural formula
| business number | 027w |
|---|---|
| molecular formula | c10h16o4 |
| molecular weight | 200.24 |
| label |
dimethyl cyclohexane-1,4-dicarboxylate |
numbering system
cas number:94-60-0
mdl number:mfcd00001460
einecs number:202-347-5
rtecs number:none
brn number:1876703
pubchem number:24857214
physical property data
1. properties: colorless or slightly yellow liquid.
2. density (g/ml, 20℃): 1.111
3. relative vapor density (g/ml, air=1): 6.9
4. melting point (ºc): 24-27
5. boiling point (ºc, normal pressure): undetermined
6. boiling point (ºc, 10mmhg): 132
7. refractive index: 1.458
8. flash point (ºc): undetermined
9. specific rotation (º): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (mmhg, 85ºc): 1
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. log value of oil-water (octanol/water) partition coefficient: undetermined
17. explosion upper limit (%, v/v): undetermined determined
18. lower explosion limit (%, v/v): undetermined
19. solubility: undetermined
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index: 49.57
2. molar volume (cm3/mol): 181.6
3. isotonic specific volume (90.2k ): 447.9
4. surface tension (dyne/cm): 36.9
5. polarizability (10-24cm3): 19.65
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 1.1
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 4
5. number of tautomers: none
6. topological molecule polar surface area 52.6
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 192
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
