Hydrocarbons currently in database
Acetylene (C
2
H
2
)
Allene (CH
2
CCH
2
)
Allyl radical (CH
2
CHCH
2
)
Benzene (C
6
H
6
)
Benzyl radical (C
7
H
7
)
Butadiene (CH
2
CHCHCH
2
)
Butadiyne (C
4
H
2
)
Butane (C
4
H
10
)
Butene (CH
2
CHCH
2
CH
3
)
Butyne (C
2
H
5
CCH)
Cyclohexane (C
6
H
12
)
Cyclohexene (C
6
H
10
)
Cyclopentene (C
5
H
8
)
Cyclopropane (C
3
H
6
)
Ethane (CH
3
CH
3
)
Ethylene (C
2
H
4
)
Ethyl radical (C
2
H
5
)
Ethynyl radical (C
2
H)
Heptane (C
7
H
16
)
Heptene (C
7
H
14
)
Hexane (C
6
H
14
)
Hexatriyne (C
6
H
2
)
Isobutane (C
4
H
10
)
Isobutene ((CH
3
)
2
CCH
2
)
Isooctane (C
8
H
18
)
Isopentane (C
5
H
12
)
Isopropyl radical (C
3
H
7
)
Methane (CH
4
)
Methyl radical (CH
3
)
Octane (C
8
H
18
)
Pentane (C
5
H
12
)
Pentene (C
5
H
10
)
Propane (C
3
H
8
)
Propargyl radical (CH
2
CCH)
Propylene (C
3
H
6
)
Propyl radical (C
3
H
7
)
Propyne (CH
3
C
2
H)
Toluene (C
7
H
8
)
Vinylacetylene (C
4
H
4
)
Vinyl radical (C
2
H
3
)
PNNL data overview
List of available data for all molecules in database
List of fundamental vibrations for all molecules in database
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