Chemical Properties of 2-Adamantanone (CAS 700-58-3)

2-Adamantanone

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2
InChI Key
IYKFYARMMIESOX-UHFFFAOYSA-N
Formula
C10H14O
SMILES
O=C1C2CC3CC(C2)CC1C3
Molecular Weight1
150.22
CAS
700-58-3
Other Names
  • 2-Adamantone
  • 2-Oxoadamantane
  • Adamantan-2-one
  • Adamantanone
  • Tricyclo[3.3.1.1(3,7)]decanone
  • tricyclo[3.3.1.13,7]decan-2-one
Sources

Physical Properties

Property Value Unit Source
Δcsolid -5625.00 ± 4.00 kJ/mol NIST
Δf 73.17 kJ/mol Joback Calculated Property
Δfgas -231.00 ± 4.60 kJ/mol NIST
Δfsolid -311.00 ± 4.00 kJ/mol NIST
Δfus 14.54 kJ/mol Joback Calculated Property
Δsub [66.30; 80.30] kJ/mol Show Hide
Δsub 66.40 ± 0.30 kJ/mol NIST
Δsub 66.30 ± 0.80 kJ/mol NIST
Δsub 76.10 ± 1.50 kJ/mol NIST
Δsub 80.00 ± 3.00 kJ/mol NIST
Δsub 80.30 ± 2.50 kJ/mol NIST
Δvap 60.70 ± 0.20 kJ/mol NIST
IE [8.59; 8.80] eV Show Hide
IE 8.62 eV NIST
IE 8.59 eV NIST
IE 8.76 eV NIST
IE 8.67 eV NIST
IE 8.80 ± 0.02 eV NIST
logPoct/wat 2.01 Crippen Calculated Property
Pc 3224.64 kPa Joback Calculated Property
Tboil 515.84 K Joback Calculated Property
Tc 746.98 K Joback Calculated Property
Tfus 316.74 K Joback Calculated Property
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 310.43 J/mol×K 515.84 Joback Calculated Property
ΔfusH 11.77 kJ/mol 557.5 NIST

Molecular Descriptors

Joback and Reid Groups
>C=O (ring) 1
>CH- (ring) 4
-CH2- (ring) 5

Similar Compounds

Bicyclo[3.3.1]nonan-2-one. 2,6-Adamantandione. Methanone, dicyclohexyl-. Bicyclo[3.3.1]nonan-9-one. Bicyclo[3.3.1]nona-2,6-dione. Cyclohexanone, 2-butyl-. Bicyclo[3.2.1]octan-2-one. Cyclohexanone, 2-ethyl-. 1-Butanone, 1-cyclohexyl-. 1-Propanone, 1-cyclohexyl-. Cyclohexanone, 2-propyl-. Cyclohexanone, 2,6-dimethyl-. Bicyclo[3.2.1]octan-8-one. Cyclohexanone, 5-methyl-2-propyl, cis. Cyclohexanone, 5-methyl-2-propyl, trans.

Find more compounds similar to 2-Adamantanone.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.