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| CAS No.: | 7493-68-7 |
|---|---|
| Name: | Cyclohexanepentanoic acid, 2-propenyl ester |
| Molecular Structure: | |
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| Formula: | C14H24O2 |
| Molecular Weight: | 224.34 |
| Synonyms: | prop-2-enyl 5-cyclohexylpentanoate;Allyl cyclohexanevalerate;FEMA No. 2027;2-Propenyl cyclohexanepentanoate;2-Propen-1-yl cyclohexanevalerate;ALLYL CYCLOHEXANEPENTANOATE;Cyclohexanevaleric acid, allyl ester;Allyl 5-cyclohexylpentanoate;2-Propen-1-yl cyclohexanepentanoate;Cyclohexanepentanoic acid, 2-propenyl ester;Allyl hexahydrophenylvalerate; |
| Density: | 0.928 g/cm3 |
| Boiling Point: | 300.6 °C at 760 mmHg |
| Flash Point: | 127.4 °C |
| PSA: | 26.30000 |
| LogP: | 3.85630 |
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Specification
The Allyl cyclohexylvalerate, with the CAS registry number 7493-68-7, is also known as Cyclohexanepentanoic acid, 2-propenyl ester. This chemical's molecular formula is C14H24O2 and molecular weight is 224.34. What's more, its systematic name is prop-2-en-1-yl 5-cyclohexylpentanoate.
Physical properties of Allyl cyclohexylvalerate are: (1)ACD/LogP: 5.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.18; (4)ACD/LogD (pH 7.4): 5.18; (5)ACD/BCF (pH 5.5): 5081.61; (6)ACD/BCF (pH 7.4): 5081.61; (7)ACD/KOC (pH 5.5): 15644.02; (8)ACD/KOC (pH 7.4): 15644.02; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.46 ; (14)Molar Refractivity: 66.29 cm3; (15)Molar Volume: 241.6 cm3; (16)Polarizability: 26.28×10-24cm3; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 0.928 g/cm3; (19)Flash Point: 127.4 °C; (20)Enthalpy of Vaporization: 54.07 kJ/mol; (21)Boiling Point: 300.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00111 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC\C=C)CCCCC1CCCCC1
(2)Std. InChI: InChI=1S/C14H24O2/c1-2-12-16-14(15)11-7-6-10-13-8-4-3-5-9-13/h2,13H,1,3-12H2
(3)Std. InChIKey: NDXGAVFJHHVIQN-UHFFFAOYSA-N