Chemical Properties of 3-Cyclohepten-1-one (CAS 1121-64-8)

3-Cyclohepten-1-one

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InChI
InChI=1S/C7H10O/c8-7-5-3-1-2-4-6-7/h1,3H,2,4-6H2
InChI Key
PKTLJWUNHIKVME-UHFFFAOYSA-N
Formula
C7H10O
SMILES
O=C1CC=CCCC1
Molecular Weight1
110.15
CAS
1121-64-8
Other Names
  • 3-Cycloheptenone
Sources

Physical Properties

Property Value Unit Source
Δf -64.51 kJ/mol Joback Calculated Property
Δfgas -199.23 kJ/mol Joback Calculated Property
Δfus 3.28 kJ/mol Joback Calculated Property
Δvap 36.62 kJ/mol Joback Calculated Property
IE 9.14 eV NIST
logPoct/wat 1.69 Crippen Calculated Property
Pc 4130.29 kPa Joback Calculated Property
Tboil 455.03 K Joback Calculated Property
Tc 690.86 K Joback Calculated Property
Tfus 245.73 K Joback Calculated Property
Vc 0.35 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 187.47 J/mol×K 455.03 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (ring) 1
-CH2- (ring) 4
=CH- (ring) 2

Similar Compounds

2-Cyclohepten-1-one. Z-6-HENEICOSEN-11-ONE. 6-Octen-2-one, (Z)-. 6-Octen-2-one. Z,z-6,25-tetratriactontadien-2-one. (Z)-6-Pentadecen-2-one. 2-Cycloocten-1-one. non-1-en-4-one. 3-Nonen-5-one. 9E,16E,23E,30E-octatriaconta-tetraen-3-one. 16E,23E-Tetraconta-dien-3-one. 9E,16E,23E-Tetraconta-trien-3-one. Octatriaconta-9E,16E,23E-trien-3-one. 16E,23E-octatriaconta-dien-3-one. 9-Cycloheptadecen-1-one, (Z)-.

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