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2,2,4,4,6-Pentamethylheptane (62199-62-6)

Identification
Name:2,2,4,4,6-Pentamethylheptane
Synonyms:Heptane, 2,2,4,4,6-pentamethyl-;
CAS:62199-62-6
EINECS: 263-451-4
Molecular Formula: C12H26
Molecular Weight: 170.34
InChI: InChI=1/C12H26/c1-10(2)8-12(6,7)9-11(3,4)5/h10H,8-9H2,1-7H3
Molecular Structure: (C12H26) Heptane, 2,2,4,4,6-pentamethyl-;
Properties
Transport:33507 
Melting Point: -83
Flash Point: 186.6 °C at 760 mmHg
Boiling Point: 186.6 °C at 760 mmHg
Density:0.75 g/cm3
Stability:No data.
Refractive index:1.4277 (20 C)
Solubility:Insoluble
Specification:

The 2,2,4,4,6-Pentamethylheptane, with the CAS registry number 62199-62-6, is also known as Heptane, 2,2,4,4,6-pentamethyl-. Its EINECS registry number is 263-451-4. This chemical's molecular formula is C12H26 and molecular weight is 170.34. What's more, both its IUPAC name and systematic name are the same which is called 2,2,4,4,6-Pentamethylheptane. 

Physical properties about 2,2,4,4,6-Pentamethylheptane are: (1)ACD/LogP: 6.22; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 6.22; (4) ACD/LogD (pH 7.4): 6.22; (5) ACD/BCF (pH 5.5): 31206.67; (6) ACD/BCF (pH 7.4): 31206.67; (7) ACD/KOC (pH 5.5): 57354.35; (8) ACD/KOC (pH 7.4): 57354.35; (9) #H bond acceptors: 0; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 0 Å2; (13) Index of Refraction: 1.42; (14) Molar Refractivity: 57.53 cm3; (15) Molar Volume: 227 cm3; (16) Surface Tension: 22.9 dyne/cm; (17) Density: 0.75 g/cm3; (18) Flash Point: 63.2 °C; (19) Enthalpy of Vaporization: 40.55 kJ/mol; (20) Boiling Point: 186.6 °C at 760 mmHg; (21) Vapour Pressure: 0.906 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(CC(C)C)CC(C)(C)C
(2) InChI: InChI=1/C12H26/c1-10(2)8-12(6,7)9-11(3,4)5/h10H,8-9H2,1-7H3
(3) InChIKey: NOFQKTWPZFUCOO-UHFFFAOYAB

Packinggroup: III
Flash Point: 186.6 °C at 760 mmHg
Storage Temperature: Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
Safety Data