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| Name |
Pentanoic acid, 2-methyl-, 2-ethylhexyl ester |
EINECS | N/A |
| CAS No. | 6641-73-2 | Density | 0.865 g/cm3 |
| PSA | 26.30000 | LogP | 4.18220 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H28O2 | Boiling Point | 256.3 °C at 760 mmHg |
| Molecular Weight | 228.37 | Flash Point | 115.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Valeric acid, 2-methyl-, 2-ethylhexyl ester (8CI);NSC17938;2-Ethylhexyl 2-methylpentanoate; |
Pentanoic acid, 2-methyl-, 2-ethylhexyl ester Specification
The Pentanoic acid, 2-methyl-, 2-ethylhexyl ester, with the CAS registry number 6641-73-2, is also known as Valeric acid, 2-methyl-, 2-ethylhexyl ester (8CI). This chemical's molecular formula is C14H28O2 and molecular weight is 228.37. What's more, its systematic name is 2-Ethylhexyl 2-methylpentanoate.
Physical properties of Pentanoic acid, 2-methyl-, 2-ethylhexyl ester are: (1)ACD/LogP: 5.65; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.433; (8)Molar Refractivity: 68.6 cm3; (9)Molar Volume: 263.8 cm3; (10)Polarizability: 27.19×10-24 cm3; (11)Surface Tension: 28.3 dyne/cm; (12)Density: 0.865 g/cm3; (13)Flash Point: 115.6 °C; (14)Enthalpy of Vaporization: 49.38 kJ/mol; (15)Boiling Point: 256.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0155 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(CCCC)CC)C(C)CCC
(2)InChI: InChI=1/C14H28O2/c1-5-8-10-13(7-3)11-16-14(15)12(4)9-6-2/h12-13H,5-11H2,1-4H3
(3)InChIKey: URLXXEYFQAJCPZ-UHFFFAOYSA-N
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