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1,1,4-Trimethylcyclohexane

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Name

1,1,4-Trimethylcyclohexane

EINECS N/A
CAS No. 7094-27-1 Density 0.765 g/cm3
PSA 0.00000 LogP 3.22270
Solubility N/A Melting Point N/A
Formula C9H18C9H18 Boiling Point 135 °C at 760 mmHg
Molecular Weight 126.242 Flash Point 25.2 °C
Transport Information UN 1993 Appearance N/A
Safety 9-16-33 Risk Codes 11
Molecular Structure Molecular Structure of 7094-27-1 (1,1,4-Trimethylcyclohexane) Hazard Symbols N/A
Synonyms

Trimethylcyclohexane;

 

1,1,4-Trimethylcyclohexane Specification

The 1, 1, 4-Trimethylcyclohexane, with the CAS registry number 7094-27-1, is also known as Trimethylcyclohexane. This chemical's molecular formula is C9H18 and molecular weight is 126.24. What's more, its IUPAC name is 1, 1, 4-Trimethylcyclohexane.

Physical properties about 1, 1, 4-Trimethylcyclohexane are: (1)ACD/LogP: 4.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.91; (4)ACD/LogD (pH 7.4): 4.91; (5)ACD/BCF (pH 5.5): 3177.74; (6)ACD/BCF (pH 7.4): 3177.74; (7)ACD/KOC (pH 5.5): 11179.2; (8)ACD/KOC (pH 7.4): 11179.2; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.419; (14)Molar Refractivity: 41.69 cm3; (15)Molar Volume: 164.8 cm3; (16)Surface Tension: 23.4 dyne/cm; (17)Density: 0.765 g/cm3; (18)Flash Point: 25.2 °C; (19)Enthalpy of Vaporization: 35.71 kJ/mol; (20)Boiling Point: 135 °C at 760 mmHg; (21)Vapour Pressure: 9.73 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical must be placed in a well-ventilated place. In addition, you should take precautionary measures against static discharges. Besides, this chemical is highly flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: CC1CCC(C)(C)CC1
(2) InChI: InChI=1/C9H18/c1-8-4-6-9(2,3)7-5-8/h8H,4-7H2,1-3H3
(3) InChIKey: UIWORXHEVNIOJG-UHFFFAOYAZ

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