Pentalene, octahydro- supplier

Name
BICYCLO(3.3.0)OCTANE
EINECS
CAS No. 694-72-4
Article Data14
CAS DataBase
Density 0.896 g/cm³
Solubility
Melting Point -30 °C
Formula C₈H₁₄
Boiling Point 140.5 °C at 760 mmHg
Molecular Weight 110.199
Flash Point 19.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Bicyclo(3.3.0)octane;
PSA
LogP

Pentalene, octahydro- Specification

The Pentalene, octahydro-, with the CAS registry number of 694-72-4, is also known as Bicyclo(3.3.0)octane. This chemical's molecular formula is C₈H₁₄ and molecular weight is 110.2. What's more, its IUPAC name is 1,2,3,3a,4,5,6,6a-Octahydropentalene.

Physical properties about the Pentalene, octahydro- are: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.8; (4)ACD/LogD (pH 7.4): 3.8; (5)ACD/BCF (pH 5.5): 458.05; (6)ACD/BCF (pH 7.4): 458.05; (7)ACD/KOC (pH 7.4): 2794.4; (8)#H bond acceptors: 0; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 0 Å²; (12)Index of Refraction: 1.48; (13)Molar Refractivity: 34.94 cm³; (14)Molar Volume: 122.9 cm³; (15)Surface Tension: 30.5 dyne/cm; (16)Density: 0.896 g/cm³; (17)Flash Point: 19.4 °C; (18)Enthalpy of Vaporization: 36.21 kJ/mol; (19)Boiling Point: 140.5 °C at 760 mmHg; (20)Vapour Pressure: 7.63 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C1CCC2CCCC12
(2) InChI: InChI=1/C8H14/c1-3-7-5-2-6-8(7)4-1/h7-8H,1-6H2
(3) InChIKey: AEBWATHAIVJLTA-UHFFFAOYAI

Product Name

BICYCLO(3.3.0)OCTANE

Pentalene, octahydro- Specification

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