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| CAS No.: | 18068-06-9 |
|---|---|
| Name: | 4-Methoxycyclohexanol |
| Article Data: | 30 |
| Molecular Structure: | |
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| Formula: | C7H14O2 |
| Molecular Weight: | 130.187 |
| Synonyms: | 4-Methoxycyclohexanol; |
| Density: | 0.99g/cm3 |
| Boiling Point: | 217 °C at 760 mmHg |
| Flash Point: | 89.1 °C |
| PSA: | 29.46000 |
| LogP: | 0.93630 |
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Specification
The Cyclohexanol,4-methoxy-, with CAS registry number 18068-06-9, has the systematic name of 4-methoxycyclohexanol. Besides this, it is also called 4-Methoxycyclohexanol (cis,trans). And the chemical formula of this chemical is C7H14O2.
Physical properties of Cyclohexanol,4-methoxy-: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): 0.5; (5)ACD/BCF (pH 5.5): 1.42; (6)ACD/BCF (pH 7.4): 1.42; (7)ACD/KOC (pH 5.5): 44.68; (8)ACD/KOC (pH 7.4): 44.68; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 35.63 cm3; (15)Molar Volume: 130.7 cm3; (16)Polarizability: 14.12×10-24cm3; (17)Surface Tension: 33.2 dyne/cm; (18)Density: 0.99 g/cm3; (19)Flash Point: 89.1 °C; (20)Enthalpy of Vaporization: 52.73 kJ/mol; (21)Boiling Point: 217 °C at 760 mmHg; (22)Vapour Pressure: 0.0292 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC1CCC(OC)CC1
(2)InChI: InChI=1/C7H14O2/c1-9-7-4-2-6(8)3-5-7/h6-8H,2-5H2,1H3
(3)InChIKey: PFTGXSGDFZZZFY-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H14O2/c1-9-7-4-2-6(8)3-5-7/h6-8H,2-5H2,1H3
(5)Std. InChIKey: PFTGXSGDFZZZFY-UHFFFAOYSA-N