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Name |
Pentanoic acid,cyclohexyl ester |
EINECS | 216-289-3 |
CAS No. | 1551-43-5 | Density | 0.94 g/cm3 |
PSA | 26.30000 | LogP | 3.05250 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H20O2 | Boiling Point | 232.2 °C at 760 mmHg |
Molecular Weight | 184.279 | Flash Point | 87.1 °C |
Transport Information | N/A | Appearance | Colorless liquid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Valericacid, cyclohexyl ester (6CI,7CI,8CI);Cyclohexyl valerate;NSC 53957;Cyclohexyl pentanoate; |
Article Data | 15 |
The Pentanoic acid,cyclohexyl ester, with the CAS registry number 1551-43-5, is also known as Cyclohexyl valerate. This chemical's molecular formula is C11H20O2 and molecular weight is 184.28. What's more, its systematic name is Cyclohexyl pentanoate and its EINECS number is 216-289-3. The product should be sealed and stored in containers with dry inert gas which are placed in cool and dry places. It should be protected from oxidizers and it should be ensured that the workshop is well ventilated or equipped with exhaust device.
Physical properties of Pentanoic acid,cyclohexyl ester are: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 3.83; (5)ACD/BCF (pH 5.5): 480.04; (6)ACD/BCF (pH 7.4): 480.04; (7)ACD/KOC (pH 5.5): 2889.77; (8)ACD/KOC (pH 7.4): 2889.77; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.451; (14)Molar Refractivity: 52.76 cm3; (15)Molar Volume: 195.7 cm3; (16)Polarizability: 20.91×10-24 cm3; (17)Surface Tension: 31.7 dyne/cm; (18)Density: 0.94 g/cm3; (19)Flash Point: 87.1 °C; (20)Enthalpy of Vaporization: 46.88 kJ/mol; (21)Boiling Point: 232.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0599 mmHg at 25°C; (23)XLogP3-AA: 3.3; (24)Heavy Atom Count: 13; (25)Complexity: 148.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC(=O)OC1CCCCC1
(2)InChI: InChI=1S/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3
(3)InChIKey: YLCHTSSXNSNXSW-UHFFFAOYSA-N