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Name |
Heptane, 2,5-dimethyl- |
EINECS | N/A |
CAS No. | 2216-30-0 | Density | 0.721 g/cm3 |
PSA | 0.00000 | LogP | 3.46870 |
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 | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,5-Dimethylheptane;3,6-Dimethylheptane;2,5-Dimethylheptane 99%; |
Article Data | 3 |
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