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| CAS No.: | 20074-80-0 |
|---|---|
| Name: | 5-chloropentanal |
| Article Data: | 34 |
| Molecular Structure: | |
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| Formula: | C5H9ClO |
| Molecular Weight: | 120.579 |
| Synonyms: | 5-Chlorovaleraldehyde;Valeraldehyde,5-chloro- (7CI,8CI);5-Chloropentanal; |
| Density: | 1.006g/cm3 |
| Boiling Point: | 172 °C at 760 mmHg |
| Flash Point: | 66.8 °C |
| PSA: | 17.07000 |
| LogP: | 1.59440 |
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Specification
The Pentanal, 5-chloro-, with CAS registry number 20074-80-0, has the systematic name of 5-chloropentanal. Besides this, it is also called 5-Chloro-pentanal. And the chemical formula of this chemical is C5H9ClO.
Physical properties of Pentanal, 5-chloro-: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 5.32; (6)ACD/BCF (pH 7.4): 5.32; (7)ACD/KOC (pH 5.5): 115.09; (8)ACD/KOC (pH 7.4): 115.09; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.419; (14)Molar Refractivity: 30.24 cm3; (15)Molar Volume: 119.7 cm3; (16)Polarizability: 11.99×10-24cm3; (17)Surface Tension: 29.1 dyne/cm; (18)Density: 1.006 g/cm3; (19)Flash Point: 66.8 °C; (20)Enthalpy of Vaporization: 40.84 kJ/mol; (21)Boiling Point: 172 °C at 760 mmHg; (22)Vapour Pressure: 1.36 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCCC=O
(2)InChI: InChI=1/C5H9ClO/c6-4-2-1-3-5-7/h5H,1-4H2
(3)InChIKey: ZNLHWEDEIKEQDK-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C5H9ClO/c6-4-2-1-3-5-7/h5H,1-4H2
(5)Std. InChIKey: ZNLHWEDEIKEQDK-UHFFFAOYSA-N