Methyl 1-cyclohexene-1-carboxylate CAS18448-47-0

Details:

Density 1.028g /mL at 20 °C(lit.)
Boiling point 190-192 °C
Molecular formula C8H12O2
Molecular weight 140.18000
Flash point 165 °F
Accurate mass 140.08400
PSA 26.30000
LogP 1.65980
Appearance properties transparent colorless liquid
Vapor pressure 0.463mmHg at 25°C
Refractive index n20/D 1.477
Storage condition
Room temperature closed light, ventilated and dry

stability
Stable at normal temperature and pressure

Materials to avoid: oxides
Water is insoluble
Molecular structure
1. Molar refractive index: 38.22

2. Molar volume (m3/mol) : 135.3

3. Isotropic specific volume (90.2K) : 330.2

4. Surface tension (dyne/cm) : 35.4

5. Polarization (10-24cm3) : 15.15

Computational chemistry
1. Reference value of hydrophobic parameter calculation (XlogP) :2

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :2

4. Number of rotatable bonds :2

5. Number of tautomers: None

6. Topological molecular polar surface area 26.3

7. Number of heavy atoms :10

8. Surface charge :0

9. Complexity :159

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

12. Number of indeterminate atomic orthotropic centers :0

13. Determine the number of chemical bond constitutive centers :0

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

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