Structural formula
Business number | 01VP |
---|---|
Molecular formula | C9H14O2 |
Molecular weight | 154.21 |
label |
2,3-bishydroxymethyl-5-norbornene, Bicyclo[2.2.1]heptyl-5-en-2,3-dimethanol, 2,3-Bis(hydroxymethyl)-5-norbornene, Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol |
Numbering system
CAS number:85-39-2
MDL number:MFCD00168676
EINECS number:201-601-2
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Physical property data
1. Character: Uncertain
2. Density (g/mL,25/4℃): Unsure
3. Relative vapor density (g/mL,AIR=1): Unsure
4. Melting point (ºC):82
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
11. Vapor pressure (kPa,25ºC):1.116. 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: Uncertain
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 42.39
2. Molar volume (m3/mol):135.6
3. isotonic specific volume (90.2K):362.5
4. Surface Tension (dyne/cm):51.0
5. Polarizability(10-24cm3):16.80
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.4
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 158
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 4
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
; FONT-FAMILY: 宋体; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>Molar refractive index:42.39
2. Molar volume (m3/mol):135.6
3. isotonic specific volume (90.2K):362.5
4. Surface Tension (dyne/cm):51.0
5. Polarizability(10-24cm3):16.80
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.4
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 158
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 4
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