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| CAS No.: | 1127-01-1 |
|---|---|
| Name: | ETHYL 1-HYDROXYCYCLOHEXANE-CARBOXYLATE |
| Molecular Structure: | |
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| Formula: | C9H16O3 |
| Molecular Weight: | 172.224 |
| Synonyms: | 1-Hydroxycyclohexanecarboxylicacid ethyl ester;Ethyl 1-hydroxycyclohexanecarboxylate;NSC 7384;Ethyl 1-hydroxycyclohexane-1-carboxylate; |
| EINECS: | 201-215-5 |
| Density: | 1.104 g/cm3 |
| Boiling Point: | 227.909 °C at 760 mmHg |
| Flash Point: | 86.187 °C |
| PSA: | 46.53000 |
| LogP: | 1.24470 |
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Specification
The Ethyl 1-hydroxycyclohexane-1-carboxylate, with the CAS registry number 1127-01-1, is also known as 1-Hydroxycyclohexanecarboxylic acid ethyl ester. It belongs to the product category of Cycloalkanes. This chemical's molecular formula is C9H16O3 and molecular weight is 172.22. What's more, its systematic name is Ethyl 1-hydroxycyclohexanecarboxylate.
Physical properties of Ethyl 1-hydroxycyclohexane-1-carboxylate are: (1)ACD/LogP: 1.382; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 1.38; (5)ACD/BCF (pH 5.5): 6.61; (6)ACD/BCF (pH 7.4): 6.61; (7)ACD/KOC (pH 5.5): 134.45; (8)ACD/KOC (pH 7.4): 134.45; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 44.75 cm3; (15)Molar Volume: 155.991 cm3; (16)Polarizability: 17.74×10-24cm3; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.104 g/cm3; (19)Flash Point: 86.187 °C; (20)Enthalpy of Vaporization: 54.001 kJ/mol; (21)Boiling Point: 227.909 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C1(O)CCCCC1
(2)Std. InChI: InChI=1S/C9H16O3/c1-2-12-8(10)9(11)6-4-3-5-7-9/h11H,2-7H2,1H3
(3)Std. InChIKey: LVGBBZRMRVLEFH-UHFFFAOYSA-N