Basic Information | Post buying leads | Suppliers |
Name |
Octahydropentalene-1,2-diol |
EINECS | 278-908-3 |
CAS No. | 78430-44-1 | Density | 1.216 g/cm3 |
PSA | 40.46000 | LogP | 0.52820 |
Solubility | N/A | Melting Point |
49 °C |
Formula | C8H14O2 | Boiling Point | 288.4 °C at 760 mmHg |
Molecular Weight | 142.198 | Flash Point | 143 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,2,3,3a,4,5,6,6a-octahydropentalene-1,2-diol;Octahydro-1,2-pentalenediol; |
The Octahydropentalene-1,2-diol, with the CAS registry number 78430-44-1, is also known as Octahydro-1,2-pentalenediol. Its EINECS number is 278-908-3. This chemical's molecular formula is C8H14O2 and molecular weight is 142.2. What's more, its systematic name is 1,2,3,3a,4,5,6,6a-octahydropentalene-1,2-diol.
Physical properties of Octahydropentalene-1,2-diol are: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.57; (4)ACD/LogD (pH 7.4): 0.57; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 40.46 Å2; (9)Index of Refraction: 1.565; (10)Molar Refractivity: 38.12 cm3; (11)Molar Volume: 116.9 cm3; (12)Polarizability: 15.11×10-24 cm3; (13)Surface Tension: 44.7 dyne/cm; (14)Density: 1.216 g/cm3; (15)Flash Point: 143 °C; (16)Enthalpy of Vaporization: 61.22 kJ/mol; (17)Boiling Point: 288.4 °C at 760 mmHg; (18)Vapour Pressure: 0.000261 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: OC2CC1CCCC1C2O
(2)InChI: InChI=1/C8H14O2/c9-7-4-5-2-1-3-6(5)8(7)10/h5-10H,1-4H2
(3)InChIKey: RVTNKLDREGTHJJ-UHFFFAOYAM