Chemical Properties of 2H-Inden-2-one, octahydro-, trans- (CAS 16484-17-6)

2H-Inden-2-one, octahydro-, trans-

InChI
InChI=1S/C9H14O/c10-9-5-7-3-1-2-4-8(7)6-9/h7-8H,1-6H2/t7-,8-/m0/s1
InChI Key
HAMUKWWZXAKCAU-YUMQZZPRSA-N
Formula
C9H14O
SMILES
O=C1CC2CCCCC2C1
Molecular Weight1
138.21
CAS
16484-17-6
Other Names
  • 2-Indanone, hexahydro-, trans-
  • Octahydro-2H-inden-2-one, (E)-
  • trans-2-Hydrindanone
  • trans-Octahydro-2H-inden-2-one
  • trans-Perhydro-2-indanone
  • trans-«beta»-Hydrindanone
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Physical Properties

Property Value Unit Source
ΔcH°liquid -5237.10 ± 1.50 kJ/mol NIST
ΔfH°gas -249.20 ± 1.60 kJ/mol NIST
ΔfH°liquid -305.30 ± 1.60 kJ/mol NIST
ΔfusH° 8.55 kJ/mol Joback Calculated Property
ΔvapH° [56.10; 56.10] kJ/mol Show Hide
ΔvapH° 56.10 kJ/mol NIST
ΔvapH° 56.10 ± 0.30 kJ/mol NIST
IE 9.23 eV Relay (1.0) Calculated Property
log10WS -2.79 Relay (1.0) Calculated Property
logPoct/wat 2.156 Crippen Calculated Property
McVol 117.520 ml/mol McGowan Calculated Property
Pc 3411.87 kPa Joback Calculated Property
Tboil 486.89 K Relay (1.0) Calculated Property
Tc 734.50 K Relay (1.0) Calculated Property
Tfus 272.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [141.21; 447.59] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-8.47100e+01
Coefficient B9.63500e-01
Coefficient C-5.23000e-04
Coefficient D9.18000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 141.21 J/mol×K 273.00 Calculated Property
Cp,gas 194.76 J/mol×K 353.78 Calculated Property
Cp,gas 242.75 J/mol×K 434.56 Calculated Property
Cp,gas 285.48 J/mol×K 515.33 Calculated Property
Cp,gas 323.24 J/mol×K 596.11 Calculated Property
Cp,gas 356.32 J/mol×K 676.89 Calculated Property
Cp,gas 385.00 J/mol×K 757.67 Calculated Property
Cp,gas 409.58 J/mol×K 838.44 Calculated Property
Cp,gas 430.34 J/mol×K 919.22 Calculated Property
Cp,gas 447.59 J/mol×K 1000.00 Calculated Property

Similar Compounds

2H-Inden-2-one, octahydro-, cis-. 2,5(1H,3H)-Pentalenedione, tetrahydro-, cis-. 2-Decalone,c&t. 2(1H)-Naphthalenone, octahydro-, trans-. cis-octahydronaphthalene-2(1H)-one. Bicyclo[3.2.1]octan-3-one. Cyclohexanone, 3-(1-methylethyl). Bicyclo(3.3.1)nonan-3-one. 3,4-Dimethylcyclohexanone. 2H-Inden-2-one, octahydro-3a-methyl-, cis-. 2H-Inden-2-one, octahydro-3a-methyl-, trans-. 1H-Inden-1-one, octahydro-. 1H-Inden-1-one, octahydro-, trans-. 1H-Inden-1-one, octahydro-, cis-. 3-Ethylcyclopentanone.

Find more compounds similar to 2H-Inden-2-one, octahydro-, trans-.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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