-
Name
3,7-Dimethyloctannitril
- EINECS 403-620-3
- CAS No. 40188-41-8
- Article Data2
- CAS DataBase
- Density 0.816 g/cm3
- Solubility
- Melting Point
- Formula C10H19N
- Boiling Point 223.1 °C at 760 mmHg
- Molecular Weight 153.268
- Flash Point 77.5 °C
- Transport Information
- Appearance
- Safety 36/37-61
- Risk Codes 38-43-51/53
-
Molecular Structure
- Hazard Symbols Xi,N
- Synonyms 3,7-Dimethyloctanenitrile;Tetrahydrogeranonitrile;
- PSA 23.79000
- LogP 3.36248
Octanenitrile,3,7-dimethyl- Specification
The CAS registry number of Octanenitrile,3,7-dimethyl- is 40188-41-8. Its EINECS registry number is 403-620-3. This chemical's molecular formula is C10H19N and molecular weight is 153.2646. Its systematic name is called 3,7-dimethyloctanenitrile.
Physical properties of Octanenitrile,3,7-dimethyl-: (1)ACD/LogP: 3.44; (2)ACD/LogD (pH 5.5): 3.44; (3)ACD/LogD (pH 7.4): 3.44; (4)ACD/BCF (pH 5.5): 240.51; (5)ACD/BCF (pH 7.4): 240.51; (6)ACD/KOC (pH 5.5): 1762.04; (7)ACD/KOC (pH 7.4): 1762.04; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.427; (11)Molar Refractivity: 48.2 cm3; (12)Molar Volume: 187.7 cm3; (13)Surface Tension: 28.3 dyne/cm; (14)Density: 0.816 g/cm3; (15)Flash Point: 77.5 °C; (16)Enthalpy of Vaporization: 45.96 kJ/mol; (17)Boiling Point: 223.1 °C at 760 mmHg; (18)Vapour Pressure: 0.098 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It may present an immediate or delayed danger to one or more components of the environment. In addition, it is irritating to skin. Whenever you will contact it, please wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCC(CCCC(C)C)C
(2)InChI: InChI=1/C10H19N/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-7H2,1-3H3
(3)InChIKey: SAPMLSXAXRULJB-UHFFFAOYAJ
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