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4516-69-2

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Basic Information
CAS No.: 4516-69-2
Name: 1,1,3-TRIMETHYLCYCLOPENTANE
Article Data: 16
Molecular Structure:
Molecular Structure of 4516-69-2 (1,1,3-TRIMETHYLCYCLOPENTANE)
Formula: C8H16
Molecular Weight: 112.215
Synonyms: 1,1,3-Trimethylcyclopentane;NSC 73945;
Density: 0.762 g/cm3
Melting Point: -142.44°C
Boiling Point: 104.9 °C at 760 mmHg
Flash Point: 6.4 °C
Solubility: 3.73 mg/kg at 25 °C (shake flask-GLC, Price, 1976)
Transport Information: UN 1993
PSA: 0.00000
LogP: 2.83260
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Specification

The Cyclopentane, 1, 1, 3-trimethyl-, with the CAS registry number of 4516-69-2, is also known as NSC 73945. This chemical's molecular formula is C8H16 and molecular weight is 112.21. What's more, its IUPAC name is 1, 1, 3-Trimethylcyclopentane.

Physical properties about Cyclopentane, 1, 1, 3-trimethyl- are: (1)ACD/LogP: 4.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.35; (4)ACD/LogD (pH 7.4): 4.35; (5)ACD/BCF (pH 5.5): 1183.76; (6)ACD/BCF (pH 7.4): 1183.76; (7)ACD/KOC (pH 5.5): 5513.69; (8)ACD/KOC (pH 7.4): 5513.69; (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: 1.418; (14)Molar Refractivity: 37.08 cm3; (15)Molar Volume: 147.1 cm3; (16)Surface Tension: 23.1 dyne/cm; (17)Density: 0.762 g/cm3; (18)Flash Point: 6.4 °C; (19)Enthalpy of Vaporization: 32.97 kJ/mol; (20)Boiling Point: 104.9 °C at 760 mmHg; (21)Vapour Pressure: 35.2 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC1CCC(C)(C)C1
(2) InChI: InChI=1/C8H16/c1-7-4-5-8(2,3)6-7/h7H,4-6H2,1-3H3
(3) InChIKey: OBKHYUIZSOIEPG-UHFFFAOYAL