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| CAS No.: | 94199-92-5 |
|---|---|
| Name: | 2,4,6-Tripropylbenzaldehyde |
| Molecular Structure: | |
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| Formula: | C16H24O |
| Molecular Weight: | 232.36 |
| Synonyms: | 2,4,6-tripropylbenzaldehyde |
| EINECS: | 303-468-7 |
| Density: | 0.932 g/cm3 |
| Boiling Point: | 332.7 °C at 760 mmHg |
| Flash Point: | 119.1 °C |
| PSA: | 17.07000 |
| LogP: | 4.35660 |
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Specification
This chemical is called 2,4,6-Tripropylbenzaldehyde, and it can also be named as benzaldehyde, 2,4,6-tripropyl-. With the molecular formula of C16H24O, its molecular weight is 232.36. The CAS registry number of this chemical is 94199-92-5.
Other characteristics of the 2,4,6-Tripropylbenzaldehyde can be summarised as followings: (1)ACD/LogP: 6.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.21; (4)ACD/LogD (pH 7.4): 6.21; (5)ACD/BCF (pH 5.5): 30782.35; (6)ACD/BCF (pH 7.4): 30782.35; (7)ACD/KOC (pH 5.5): 56795.13; (8)ACD/KOC (pH 7.4): 56795.13; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 75.55 cm3; (15)Molar Volume: 249 cm3; (16)Polarizability: 29.95×10-24cm3; (17)Surface Tension: 34 dyne/cm; (18)Density: 0.932 g/cm3; (19)Flash Point: 119.1 °C; (20)Enthalpy of Vaporization: 57.55 kJ/mol; (21)Boiling Point: 332.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000144 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1c(cc(cc1CCC)CCC)CCC
2.InChI: InChI=1/C16H24O/c1-4-7-13-10-14(8-5-2)16(12-17)15(11-13)9-6-3/h10-12H,4-9H2,1-3H3
3.InChIKey: XLBMUNUEKHFEFL-UHFFFAOYAL