Chemical Kinetics Database ERADB

Formula : CH2ClCH2CH2OH
Name : 3-Chloropropanol
CAS : 627-30-5
Smiles : ClCCCO
InChI=1S/C3H7ClO/c4-2-1-3-5/h5H,1-3H2
Function(s) : Alcohols
Hologenated Alcohols
Family(ies) : Halogenated Containing Oxygenates
( More about this compound )

Page results : { 1 }

Constant 1 :
kCl: 7.54 ± 0.73 × 10^-11 cm³ molecule^-1 s^-1
T = 296 ± 2 K
Pressure : 700 Torr
Bath Gas : Nitrogen
Technique(s) : relative rate - Fourier transform infrared
Source : Photolysis of Cl2
Comment : Placed on an absolute basis using k(Cl+ C3H6)= 2.67 × 10^-10 cm³ molecule^-1 s^-1
k/kref = (0.29±0.02)
and
k(Cl+ C2H4)= 9.29 × 10^-11 cm³ molecule^-1 s^-1
k/kref = (0.79±0.05)
R e f e r e n c e :
Yamanaka T., Kawasaki M. , Hurley M. D. , Wallington T. J. , Xiao L., Schneider W.F.
Experimental and computational investigation of gas-phase reaction of chlorine with n-propanol: observation of chloropropanol conformational isomerization at room temperature
The Journal of Physical Chemistry A
2008, Vol. 112, pp 2773-2781
DOI : 10.1021/jp711882c

Page results : { 1 }