1,4-Cyclohexanedicarboxylic acid dimethyl ester
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) distribution 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
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