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57899-54-4

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Basic Information
CAS No.: 57899-54-4
Name: 1-Isopropoxycyclohexene
Article Data: 2
Molecular Structure:
Molecular Structure of 57899-54-4 (1-Isopropoxycyclohexene)
Formula: C9H16O
Molecular Weight: 140.22
Synonyms: IPCH;1-ISOPROPOXYCYCLOHEXENE
Density: 0.88 g/cm3
Boiling Point: 201.1 °C at 760 mmHg
Flash Point: 67.5 °C
PSA: 9.23000
LogP: 2.86930
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Specification

The 1-Isopropoxycyclohexene is an organic compound with the formula C9H16O. The systematic name of this chemical is 1-(1-methylethoxy)cyclohexene. With the CAS registry number 57899-54-4, it is also named as Cyclohex-1-en-1-yl isopropyl ether.

Physical properties about 1-Isopropoxycyclohexene are: (1)ACD/LogP: 3.03; (2)ACD/LogD (pH 5.5): 3.03; (3)ACD/LogD (pH 7.4): 3.03; (4)ACD/BCF (pH 5.5): 118.86; (5)ACD/BCF (pH 7.4): 118.86; (6)ACD/KOC (pH 5.5): 1063.97; (7)ACD/KOC (pH 7.4): 1063.97; (8)#H bond acceptors: 1 ; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 9.23 Å2; (11)Index of Refraction: 1.454; (12)Molar Refractivity: 43.06 cm3; (13)Molar Volume: 158.7 cm3; (14)Polarizability: 17.07×10-24cm3; (15)Surface Tension: 27.3 dyne/cm; (16)Density: 0.88 g/cm3; (17)Flash Point: 67.5 °C; (18)Enthalpy of Vaporization: 41.94 kJ/mol; (19)Boiling Point: 201.1 °C at 760 mmHg; (20)Vapour Pressure: 0.445 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(\C1=C\CCCC1)C(C)C
(2)InChI: InChI=1/C9H16O/c1-8(2)10-9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3
(3)InChIKey: AZDWLUXNJQFOCU-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H16O/c1-8(2)10-9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3
(5)Std. InChIKey: AZDWLUXNJQFOCU-UHFFFAOYSA-N