Chemical Kinetics Database ERADB

Formula : C4H9C(O)OCH3
Name : Methyl pentanoate
CAS : 624-24-8
Smiles : CCCCC(=O)OC
InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3
Function(s) : Esters
Family(ies) : Saturated Oxygenates
( More about this compound )

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Constant 1 :
kCl: 7.84 ± 1.15 × 10^-11 cm³ molecule^-1 s^-1
T = 298 ± 3 K
Pressure : 760 Torr
Bath Gas : Air
Technique(s) : relative rate - Fourier transform infrared
Source : Photolysis of Cl2
Comment : Placed on an absolute basis using k(Cl + Ethene) = 1.1 × 10^-10 cm³ molecule^-1 s^-1; k/kref = 0.713

R e f e r e n c e :
Schütze N., Zhong X., Kirschbaum S., Bejan I. , Barnes I. , Benter T.
Relative kinetic measurements of rate coefficients for the gas-phase reactions of Cl atoms and OH radicals with a series of methyl alkyl esters
Atmospheric Environment
2010, Vol. 44, pp 5407-5414
DOI : 10.1016/j.atmosenv.2009.08.011

Constant 2 :
kCl: 1.7 ± 0.2 × 10^-10 cm³ molecule^-1 s^-1
T = 298 ± 2 K
Pressure : 15-60 Torr
Bath Gas : Helium
Technique(s) : pulsed laser photolysis - resonance fluorescence
Source : Photolysis of Cl2
R e f e r e n c e :
Notario A. , Le Bras G., Mellouki A.
Absolute rate constants for reactions of Cl atoms with a series of esters
The Journal of Physical Chemistry A
1998, Vol. 102, pp 3112-3117
DOI : 10.1021/jp980416n

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