Chemical Kinetics Database ERADB

Formula : CH3C(O)OCH(CH3)C2H5
Name : sec-Butyl acetate
CAS : 105-46-4
Smiles : O=C(OC(CC)C)C
InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3
Function(s) : Esters
Family(ies) : Saturated Oxygenates
( More about this compound )

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Constant 1 :
kCl: 8.92 ± 1.07 × 10^-11 cm³ molecule^-1 s^-1
T = 298 K
Pressure : 700 Torr
Bath Gas : Nitrogen
Technique(s) : relative rate - Fourier transform spectroscopy
Source : Photolysis of Cl2
Comment : Placed on an absolute basis using:
k(Cl + Acetylene) = 5.07 × 10^-11 cm³ molecule^-1 s^-1; k/kref = 1.76 ± 0.21
k(Cl + Ethene) = 9.29 × 10^-11 cm³ molecule^-1 s^-1; k/kref = 1.05 ± 0.13

Quoted value is from the authors

Placed on an absolute basis relative to Cl with acetylene and ethene
k (C2H2) = 5.07 × 10^-11; k/kref = 1.76 ± 0.21
k (C2H4) = 9.29 × 10^-11; k/kref = 1.05 ± 0.13
R e f e r e n c e :
Xing J-H, Takahashi K., Hurley M. D. , Wallington T. J.
Kinetics of the reactions of chlorine atoms with a series of acetates
Chemical Physics Letters
2009, Vol. 474, pp 268-272
DOI : 10.1016/j.cplett.2009.04.083

Constant 2 :
kCl: 8.01 ± 0.48 × 10^-11 cm³ molecule^-1 s^-1
T = 295 ± 2 K
Pressure : 1.9-6.6 Torr
Bath Gas : Nitrogen
Technique(s) : pulsed laser photolysis - vacuum ultraviolet laser induced fluorescence
Source : Photolysis of Cl2
R e f e r e n c e :
Xing J-H, Takahashi K., Hurley M. D. , Wallington T. J.
Kinetics of the reactions of chlorine atoms with a series of acetates
Chemical Physics Letters
2009, Vol. 474, pp 268-272
DOI : 10.1016/j.cplett.2009.04.083

Constant 3 :
kCl: 9.1 ± 1.0 × 10^-11 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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