Heptane, 2,5-dimethyl- supplier

Name
2,5-DIMETHYLHEPTANE
EINECS
CAS No. 2216-30-0
Article Data3
CAS DataBase
Density 0.721 g/cm³
Solubility 319.2ug/L(temperature not stated)
Melting Point -112.99°C
Formula C₉H₂₀
Boiling Point 135.8 °C at 760 mmHg
Molecular Weight 128.258
Flash Point 54.2 °C
Transport Information 1920
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,5-Dimethylheptane;3,6-Dimethylheptane;2,5-Dimethylheptane 99%;
PSA 0.00000
LogP 3.46870

Heptane, 2,5-dimethyl- Specification

The CAS register number of Heptane, 2,5-dimethyl- is 2216-30-0. It also can be called as 3,6-Dimethylheptane and the systematic name about this chemical is 2,5-dimethylheptane. The molecular formula about this chemical is C₉H₂₀ and the molecular weight is 128.26. If you want to store it, you should keep the container tightly sealed in cool, well ventilated places and avoid contact with solarization, kindling material and heat producer.

Physical properties about Heptane, 2,5-dimethyl- are: (1)ACD/LogP: 5.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.17; (4)ACD/LogD (pH 7.4): 5.17; (5)ACD/BCF (pH 5.5): 5000.13; (6)ACD/BCF (pH 7.4): 5000.13; (7)ACD/KOC (pH 5.5): 15464.06; (8)ACD/KOC (pH 7.4): 15464.06; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.405; (11)Molar Refractivity: 43.66 cm³; (12)Molar Volume: 177.8 cm³; (13)Polarizability: 17.3x10^-24cm³; (14)Surface Tension: 21.9 dyne/cm; (15)Density: 0.721 g/cm³; (16)Flash Point: 54.2 °C; (17)Enthalpy of Vaporization: 35.78 kJ/mol; (18)Boiling Point: 135.8 °C at 760 mmHg; (19)Vapour Pressure: 9.42 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)CCC(C)CC
(2)InChI: InChI=1/C9H20/c1-5-9(4)7-6-8(2)3/h8-9H,5-7H2,1-4H3
(3)InChIKey: HQZHQNKZOYIKQC-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H20/c1-5-9(4)7-6-8(2)3/h8-9H,5-7H2,1-4H3
(5)Std. InChIKey: HQZHQNKZOYIKQC-UHFFFAOYSA-N

Product Name

2,5-DIMETHYLHEPTANE

Heptane, 2,5-dimethyl- Specification

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