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| Name |
Pentanoic acid, 1-methylpentyl ester |
EINECS | N/A |
| CAS No. | 7150-92-7 | Density | 0.87 g/cm3 |
| PSA | 26.30000 | LogP | 3.29850 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H22O2 | Boiling Point | 214.2 °C at 760 mmHg |
| Molecular Weight | 186.29 | Flash Point | 82.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
NSC 53793;Hexan-2-yl pentanoate; |
Pentanoic acid, 1-methylpentyl ester Specification
The Pentanoic acid, 1-methylpentyl ester has the CAS registry number 7150-92-7. This chemical's molecular formula is C11H22O2 and molecular weight is 186.29. What's more, its systematic name is Hexan-2-yl pentanoate.
Physical properties of Pentanoic acid, 1-methylpentyl ester are: (1)ACD/LogP: 4.24; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.425; (8)Molar Refractivity: 54.74 cm3; (9)Molar Volume: 213.9 cm3; (10)Polarizability: 21.7×10-24 cm3; (11)Surface Tension: 27.9 dyne/cm; (12)Density: 0.87 g/cm3; (13)Flash Point: 82.9 °C; (14)Enthalpy of Vaporization: 45.05 kJ/mol; (15)Boiling Point: 214.2 °C at 760 mmHg; (16)Vapour Pressure: 0.158 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(CCCC)C)CCCC
(2)InChI: InChI=1/C11H22O2/c1-4-6-8-10(3)13-11(12)9-7-5-2/h10H,4-9H2,1-3H3
(3)InChIKey: ZTFOJUWOBGLQSG-UHFFFAOYSA-N
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