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| CAS No.: | 591-34-4 |
|---|---|
| Name: | sec-Butyl propanoate. |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C7H14O2 |
| Molecular Weight: | 130.187 |
| Synonyms: | sec-Butyl propionate;2-Butylpropanoate;1-Methylpropyl propanoate;Propionicacid, sec-butyl ester (6CI,7CI,8CI); |
| Density: | 0.879 g/cm3 |
| Melting Point: | -80.46°C (estimate) |
| Boiling Point: | 135.1 °C at 760 mmHg |
| Flash Point: | 33.4 °C |
| Appearance: | colourless liquid |
| PSA: | 26.30000 |
| LogP: | 1.73810 |
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Specification
The Propanoic acid, 1-methylpropyl ester, with the CAS registry number 591-34-4, is also known as Propionic acid, sec-butyl ester. This chemical's molecular formula is C7H14O2 and molecular weight is 130.18486. Its IUPAC name is called butan-2-yl propanoate. What's more, the product should be sealed and stored in cool and dry place. Meanwhile, this chemical can be used in organic synthesis and used as solvents.
Physical properties of Propanoic acid, 1-methylpropyl ester: (1)ACD/LogP: 2.12; (2)ACD/LogD (pH 5.5): 2.12; (3)ACD/LogD (pH 7.4): 2.12; (4)ACD/BCF (pH 5.5): 23.99; (5)ACD/BCF (pH 7.4): 23.99; (6)ACD/KOC (pH 5.5): 338.4; (7)ACD/KOC (pH 7.4): 338.4; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.404; (11)Molar Refractivity: 36.21 cm3; (12)Molar Volume: 147.9 cm3; (13)Surface Tension: 25.5 dyne/cm; (14)Density: 0.879 g/cm3; (15)Flash Point: 33.4 °C; (16)Enthalpy of Vaporization: 37.25 kJ/mol; (17)Boiling Point: 135.1 °C at 760 mmHg; (18)Vapour Pressure: 7.85 mmHg at 25°C.
Preparation of Propanoic acid, 1-methylpropyl ester: this chemical can be prepared by propionic acid and butan-2-ol. This reaction is a kind of Esterification. It will need reagent NaHSO4•H2O. The reaction time is 1.5 hours. The yield is about 91.5%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C)OC(=O)CC
(2)InChI: InChI=1S/C7H14O2/c1-4-6(3)9-7(8)5-2/h6H,4-5H2,1-3H3
(3)InChIKey: VPSLGSSVPWVZFG-UHFFFAOYSA-N