Respuestas
Respuesta:
Species name
in mechanism
Cas number Detailed formula Detailed/usual name
non cyclic molecules
AR 7440-37-1 AR argon
N2 7727-37-9 N2 nitrogen molecule
H 12385-13-6 H hydrogen radical
O 17778-80-2 O oxygen radical
OH 3352-57-6 OH hydroxyl radical
O2 7782-44-7 O2 molecular oxygen
H2 1333-74-0 H2 hydrogen molecule
H2O 7732-18-5 H-O-H water
HO2 3170-83-0 HO=O* hydroperoxy radical
H2O2 7722-84-1 HO-OH hydrogen peroxide
C 7440-44-0 C carbon
CO 630-08-0 CO carbon monoxyde
CO2 124-38-9 CO2 carbon dioxyde
CH 3315-37-5 CH methylidyne
HCO 2597-44-6 HCO formyl radical
1-CH2 2465-56-7 CH2 singlet methylene radical
3-CH2 2465-56-7 CH2 triplet methylene radical
CH2O 50-00-0 CH2=O formaldehyde
CH3 2229-07-4 CH3* methyl radical
CH2OH 2597-43-5 CH2*-OH hydroxymethyl radical
CH3O 2143-68-2 CH3-O* methoxy radical
CH3O2 2143-58-0 CH3-O-O* methylperoxyde radical
CH4 74-82-8 CH4 methane
CH3OH 67-56-1 CH3-OH methanol
C2O 12071-23-7 C=C=O dicarbon monoxyde
C2H 2122-48-7 CH≡C* ethynyl radical
HCCO 51095-15-9 HC*=CO ketyl radical
C2H2 74-86-2 CH≡CH acetylene
H2C2 2143-69-3 CH2=C* vinylidene radical
CH2CO 436-51-4 CH2=CO ketene
HCCOH 32038-79-2 HC≡C-OH ethynol
C2H3 2669-89-8 CH2=CH* vinyl radical
CH2CHO 6912-06-7 CH2=CHO* vinyl oxy radical
C2H4 74-85-1 CH2=CH2 ethylene
CH3CHO 75-07-0 CH3-CHO acetaldehyde
C2H5 2025-56-1 CH3-CH2* ethyl radical
C2H5O 2154-50-9 CH3-CH2-O* ethyl oxide radical
C2H6 74-84-0 CH3-CH3 ethane
C3H2 67152-18-5 *HC=C=CH* prop-2-vinylidene
C3H2O 624-67-9 CH≡CCHO 2-propynal
C3H3 2932-78-7 *CH2-CCH propargyl radical
A-C3H4 463-49-0 CH2=C=CH2 allene
P-C3H4 74-99-7 CH3-C≡CH propyne
C2H3CHO 107-02-8 CH2=CH-CHO propenal
A-C3H5 1981-80-2 CH2=CH-CH2* symmetric allyl radical
S-C3H5 6067-68-1 CH3-CH=CH* secondary allyl radical
T-C3H5 15552-77-9 CH2=C*CH3 tertiary allyl radical
C3H5O CH2=CH-CH2-O* propanal radical
C3H6 115-07-1 CH2=CH-CH3 propylene
CH3COCH3 67-64-1 CH3-CO-CH3 acetone
N-C3H7 2143-61-5 CH3-CH2-CH2* n-propyl radical
N-C3H7O 16499-18-6 CH3-CH2-CH2-O* n-propoxy radical
C3H8 74-98-6 CH3-CH2-CH3 propane
C4H 53561-65-2 HC≡C-C≡C* butadiynyl radical
C4H2 460-12-8 HC≡C-C≡CH butadiyne
I-C4H3 63707-54-0 HC≡C-C*=CH2 i-1-butene-3-yne-2-yl radical
N-C4H3 2810-61-9 HC≡C-CH=CH* e-1-butene-3-yne-1-yl radical
C4H4 687-97-4 HC≡C-CH=CH2 1-buten-3-yne
C4H4O 50888-73-8 CH2=CH-CH=CO vinyl-ketene
N-C4H5 86181-68-2 CH2=CH-CH=CH* e-1,3-butadiene-1-yl radical
I-C4H5 108179-96-0 CH2=CH-C*=CH2 i-1,3-Butadiene-2-yl radical
13-C4H6 106-99-0 CH2=CH-CH=CH2 1,3-butadiene
C6H2 3161-99-7 CH≡C-C≡C-C≡CH hexatriene
C8H2 6165-96-4 CH≡C-C≡C-C≡C-C≡C-CH octatetrayne
molecules from LLNL mech for heptane
C4H7 2154-62-3 CH2*-CH2-CH=CH2 trans-3-buten-1-yl radical
C4H7O CH3-CHO*-CH=CH2 butyl oxy radical
1-C4H8 106-98-9 CH3-CH2-CH=CH2 1-butene
N-C3H7CHO 123-72-8 CH3-CH2-CH2-CHO butanal
P-C4H9 2492-36-6
2348-55-2
CH3-CH2-CH2-CH2*
CH3-CH2-CH*-CH3
butyl radical (lumped)
C5H9
130825-72-8
CH2*-CH2-CH2-CH=CH2
CH3-CH2-CH*-CH=CH2
pentenyl radical (lumped)
1-C5H10 109-67-1 CH3-CH2-CH2-CH=CH2 1-pentene
1-C5H11 2672-01-7
2492-34-4
CH3-CH2-CH2-CH2-CH2*
CH3-CH2-CH2-CH*-CH3
pentyl radical (lumped)
C7H13 CH3-CH2-CH*-CH2-CH2-CH=CH2
CH3-CH*-CH2-CH2-CH2-CH=CH2
heptenyl radical (lumped)
3-C7H14 592-76-7
14686-13-6
CH3-CH2-CH2-CH2-CH2-CH=CH2
CH3-CH2-CH2-CH2-CH=CH-CH3
heptene (lumped)
2-C7H15 3356-67-0
3474-30-4
CH3-CH2-CH2-CH2-CH2-CH2-CH2*
CH3-CH2-CH2-CH2-CH2-CH*-CH3
CH3-CH2-CH2-CH2-CH*-CH2-CH3
CH3-CH2-CH2-CH*-CH2-CH2-CH3
heptyl radical (lumped)
1-C7H15O CH3-CH2-CH2-CHO*-CH2-CH2-CH3
CH3-CH2-CHO*-CH2-CH2-CH2-CH3
CH3-CHO*-CH2-CH2-CH2-CH2-CH3
heptanoxy radical (lumped)
N-C7H16 142-82-5 CH3-CH2-CH2-CH2-CH2-CH2-CH3 n-heptane
molecules from LLNL mech for iso-octane
I-C3H5CHO 4170-30-3 CH3-(C-CHO)=CH2 2-butenal
I-C3H7 2025-55-0 CH3-CH*-CH3 iso-propyl radical
I-C4H7O 309966-76-5 CH2=C(CH3)-CH2O* 2-methyl allyl oxy radical
I-C4H7 15157-95-6 (CH2)2-C-CH3 2-methyl-allyl radical
I-C4H8 115-11-7 (CH3)2-C=CH2 isobutene
T-C4H9 1605-73-8 (CH3)3-C* t-butyl radical
T-C4H9O 3141-58-0
26397-42-2
(CH3)3-CO*
(CH3)2-CH-CH2O*
butoxy radical (lumped)
X-C7H13 (CH3)2-CH-CH=C(CH3)CH2* heptenyl radical (lumped)
Y-C7H14 2213-32-3
762-62-9
625-65-0
(CH3)2-CH-CH2-C(CH3)=CH2
(CH3)3-C-CH2-CH=CH2
(CH3)2-CH-CH=C(CH3)2
2,4-dimethyl-1-pentene (lumped)
2,2-dimethyl-4-pentene
2,4-dimethyl-2-pentene
Y-C7H15 (CH3)2-CH-CH2-C*-(CH3)2
CH3-CH*-CH2-C-(CH3)3
heptyl radical (lumped)
C-C8H17 (CH3)2-CH-CH2-C-(CH3)2(CH3)
(CH3)(CH2)-CH-CH2-C-(CH3)3
octyl radical (lumped)
D-C8H17O (CH3)3-C-CH2-CH(CH3)-CH2O* iso-octyl oxy radical
I-C8H18 540-84-1 (CH3)2-CH-CH2-C-(CH3)3 iso-octane
5-member ring
C5H4O 3177-38-3 C5H4=O cyclopentadiene-1-one
C5H5 2143-53-5 -CH-CH-CH-CH-CH- cyclopentadienyl radical
13-C5H5O 136936-20-4 -CH2-CH-CH-CH-CO*- 1-oxyl-1,3-cyclopentadiene
radical
24-C5H5O 136936-19-1 -CH-CH-CH-CH-CHO*- 1-oxyl-1,4-cyclopentadiene
radical
C5H6 542-92-7 Cy-C5H6 cyclopentadiene
C5H4CH 304524-27-6 Cy-C5H4=CH* 5-methylenyl-Cy-1,3-pentadiene6-yl
C5H4CH2 497-20-1 Cy-C5H4=CH2 fulvene