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| CAS No.: | 84629-00-5 |
|---|---|
| Name: | 5-Methoxypentanal |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C6H12O2 |
| Molecular Weight: | 116.16 |
| Synonyms: | 5-methoxy-pentanal; 5-Methoxy-valeraldehyd; 5-methoxy-valeraldehyde; Pentanal,5-methoxy; 5-methoxy-1-pentanal; |
| Density: | 0.885 g/cm3 |
| Melting Point: | 79-79.5℃ |
| Boiling Point: | 155.237 °C at 760 mmHg |
| Flash Point: | 42.975 °C |
| PSA: | 26.30000 |
| LogP: | 1.00200 |
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- Total:15 Page 1 of 1 1
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Specification
The 5-Methoxypentanal, with the CAS registry number 84629-00-5, is also known as Pentanal, 5-methoxy-. This chemical's molecular formula is C6H12O2 and molecular weight is 116.16. What's more, its systematic name is 5-Methoxypentanal.
Physical properties of 5-Methoxypentanal are: (1)ACD/LogP: 0.374; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/LogD (pH 7.4): 0.37; (5)ACD/BCF (pH 5.5): 1.13; (6)ACD/BCF (pH 7.4): 1.13; (7)ACD/KOC (pH 5.5): 38.08; (8)ACD/KOC (pH 7.4): 38.08; (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: 1.399; (14)Molar Refractivity: 31.778 cm3; (15)Molar Volume: 131.257 cm3; (16)Polarizability: 12.598×10-24cm3; (17)Surface Tension: 27.1 dyne/cm; (18)Density: 0.885 g/cm3; (19)Flash Point: 42.975 °C; (20)Enthalpy of Vaporization: 39.198 kJ/mol; (21)Boiling Point: 155.237 °C at 760 mmHg; (22)Vapour Pressure: 3.1 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=CCCCCOC
(2)Std. InChI: InChI=1S/C6H12O2/c1-8-6-4-2-3-5-7/h5H,2-4,6H2,1H3
(3)Std. InChIKey: KCCMPTAMMUQNSK-UHFFFAOYSA-N