1,6-Heptadiene,2,6-dimethyl- supplier

Name
2,6-DIMETHYL-1,6-HEPTADIENE
EINECS
CAS No. 51708-83-9
Article Data2
CAS DataBase
Density 0.744 g/cm³
Solubility
Melting Point
Formula C₉H₁₆
Boiling Point 143.1 °C at 760 mmHg
Molecular Weight 124.226
Flash Point 28.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,6-Dimethyl-1,6-heptadiene;
PSA 0.00000
LogP 3.30890

1,6-Heptadiene,2,6-dimethyl- Specification

The CAS register number of 1,6-Heptadiene,2,6-dimethyl- is 51708-83-9. It also can be called as 2,6-Dimethyl-1,6-heptadiene and the systematic name about this chemical is 2,6-dimethylhepta-1,6-diene. The molecular formula about this chemical is C₉H₁₆ and the molecular weight is 124.22.

Physical properties about 1,6-Heptadiene,2,6-dimethyl- are: (1)ACD/LogP: 4.69; (2)ACD/LogD (pH 5.5): 4.69; (3)ACD/LogD (pH 7.4): 4.69; (4)ACD/BCF (pH 5.5): 2174.85; (5)ACD/BCF (pH 7.4): 2174.85; (6)ACD/KOC (pH 5.5): 8521.73; (7)ACD/KOC (pH 7.4): 8521.73; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.427; (10)Molar Refractivity: 42.88 cm³; (11)Molar Volume: 166.8 cm³; (12)Polarizability: 16.99x10^-24cm³; (13)Surface Tension: 21.7 dyne/cm; (14)Density: 0.744 g/cm³; (15)Flash Point: 28.6 °C; (16)Enthalpy of Vaporization: 36.46 kJ/mol; (17)Boiling Point: 143.1 °C at 760 mmHg; (18)Vapour Pressure: 6.79 mmHg at 25 °C; (19)Heavy Atom Count: 9; (20)Complexity: 95.2; (21)Covalently-Bonded Unit Count: 1; (22)Feature 3D Hydrophobe Count: 1; (23)Effective Rotor Count: 4; (24)Conformer Sampling RMSD: 0.6; (25)CID Conformer Count: 16.

You can still convert the following datas into molecular structure:
(1)SMILES: C=C(/C)CCCC(=C)\C
(2)InChI: InChI=1/C9H16/c1-8(2)6-5-7-9(3)4/h1,3,5-7H2,2,4H3
(3)InChIKey: JYTKDPUEUXPAOI-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H16/c1-8(2)6-5-7-9(3)4/h1,3,5-7H2,2,4H3
(5)Std. InChIKey: JYTKDPUEUXPAOI-UHFFFAOYSA-N

Product Name

2,6-DIMETHYL-1,6-HEPTADIENE

1,6-Heptadiene,2,6-dimethyl- Specification

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