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6887-83-8

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Basic Information
CAS No.: 6887-83-8
Name: ISOPROPYL CYCLOPROPANE CARBOXYLATE
Molecular Structure:
Molecular Structure of 6887-83-8 (ISOPROPYL CYCLOPROPANE CARBOXYLATE)
Formula: C7H12O2
Molecular Weight: 128.171
Synonyms: ISOPROPYL CYCLOPROPANE CARBOXYLATE;propan-2-yl cyclopropanecarboxylate;Isopropyl cyclopropanecarboxylate;cyclopropanecarboxylic acid, 1-methylethyl ester;
Density: 1.031 g/cm3
Boiling Point: 142.7 °C at 760 mmHg
Flash Point: 35 °C
PSA: 26.30000
LogP: 1.34800
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Specification

The Isopropyl cyclopropane carboxyliate, with the CAS registry number 6887-83-8, has the systematic name of propan-2-yl cyclopropanecarboxylate. And the molecular formula of the chemical is C7H12O2.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 7.1; (6)ACD/BCF (pH 7.4): 7.1; (7)ACD/KOC (pH 5.5): 141.52; (8)ACD/KOC (pH 7.4): 141.52; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 34.01 cm3; (15)Molar Volume: 124.2 cm3; (16)Polarizability: 13.48×10-24cm3; (17)Surface Tension: 34.9 dyne/cm; (18)Density: 1.031 g/cm3; (19)Flash Point: 35 °C; (20)Enthalpy of Vaporization: 37.99 kJ/mol; (21)Boiling Point: 142.7 °C at 760 mmHg; (22)Vapour Pressure: 5.51 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)C)C1CC1
(2)InChI: InChI=1/C7H12O2/c1-5(2)9-7(8)6-3-4-6/h5-6H,3-4H2,1-2H3
(3)InChIKey: QEYGAMYURHNUMI-UHFFFAOYAC