1,3-Cycloheptadiene

1,3-Cycloheptadiene
ball-and-stick structure, cis-cis isomer
ball-and-stick structure, cis-cis isomer
Names
Preferred IUPAC name
Cyclohepta-1,3-diene
Other names
1,3-Cycloheptadiene
Identifiers
CAS Number
3D model (JSmol)
Abbreviations 1,3-CHDN
Beilstein Reference
1900733
ChemSpider
ECHA InfoCard 100.021.603
EC Number
  • 223-762-8
Gmelin Reference
1656
MeSH 1,3-cycloheptadiene
PubChem CID
UNII
UN number 3295
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2
    Key: GWYPDXLJACEENP-UHFFFAOYSA-N
SMILES
  • C1CC=CC=CC1
Properties
Chemical formula
C7H10
Molar mass 94.157 g·mol−1
Appearance Colorless liquid
Density 0.868 g cm−3
Melting point −110.40 °C; −166.72 °F; 162.75 K
Boiling point 120.6 °C; 249.0 °F; 393.7 K
Refractive index (nD)
1.498
Thermochemistry
Heat capacity (C)
J K−1 mol−1
Std molar
entropy (S298)
J K−1 mol−1
Std enthalpy of
formation fH298)
kJ mol−1
Std enthalpy of
combustion cH298)
- kJ mol−1
Hazards
GHS labelling:
Pictograms
GHS02: FlammableGHS08: Health hazard
Signal word
Danger
Hazard statements
H225, H340, H350, H373
Precautionary statements
P201, P210, P308+P313
NFPA 704 (fire diamond)
NFPA 704 four-colored diamond
2
3
0
Flash point 11 °C (52 °F; 284 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

1,3-Cycloheptadiene is a highly flammable cycloalkene that occurs as a colorless clear liquid.

Reactions

Over a heated Pt(111) surface, 1,3-cycloheptadiene binds to the platinum, loses hydrogen to form a cycloheptatriene, and when strongly heated forms a layer of carbon.[1]

References

  1. ^ Manner, William L.; Hostetler, Michael J.; Girolami, Gregory S.; Nuzzo, Ralph G. (1 August 1999). "Structures and Reactivities of Cycloheptane, Cycloheptene, 1,3-Cycloheptadiene, and Cycloheptatriene on Pt(111)". The Journal of Physical Chemistry B. 103 (32): 6752–6763. doi:10.1021/jp990501a.