Chemical Properties of 2-Acetyl-1-tetralone (CAS 17216-08-9)

2-Acetyl-1-tetralone

InChI
InChI=1S/C12H12O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-5,10H,6-7H2,1H3
InChI Key
BSELJBOMYPMBNL-UHFFFAOYSA-N
Formula
C12H12O2
SMILES
CC(=O)C1CCc2ccccc2C1=O
Molecular Weight1
188.22
CAS
17216-08-9
Other Names
  • 1(2H)-Naphthalenone, 2-acetyl-3,4-dihydro-
  • 2-Acetyltetralone
  • 2-acetyl-1,2,3,4-tetrahydronaphthalen-1-one
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Physical Properties

Property Value Unit Source
ΔfusH° 17.63 kJ/mol Joback Calculated Property
IE 8.83 eV Relay (1.0) Calculated Property
logPoct/wat 2.021 Crippen Calculated Property
McVol 148.460 ml/mol McGowan Calculated Property
Inp 1518.00 NIST
Tboil 584.95 K Relay (1.0) Calculated Property
Tfus 346.46 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 411.70 K 0.10 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [184.30; 486.52] 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-3.92000e+01
Coefficient B9.50420e-01
Coefficient C-5.04260e-04
Coefficient D7.95600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 184.30 J/mol×K 273.00 Calculated Property
Cp,gas 237.45 J/mol×K 353.78 Calculated Property
Cp,gas 285.12 J/mol×K 434.56 Calculated Property
Cp,gas 327.56 J/mol×K 515.33 Calculated Property
Cp,gas 365.02 J/mol×K 596.11 Calculated Property
Cp,gas 397.76 J/mol×K 676.89 Calculated Property
Cp,gas 426.03 J/mol×K 757.67 Calculated Property
Cp,gas 450.08 J/mol×K 838.44 Calculated Property
Cp,gas 470.16 J/mol×K 919.22 Calculated Property
Cp,gas 486.52 J/mol×K 1000.00 Calculated Property

Similar Compounds

1(2H)-Naphthalenone, 3,4-dihydro-2-methyl-. epi-Catalponol. Tanshinone II-b. 1,3,5(10)-Oestratriene-2-methoxy-3,16«alpha»,17«beta»-triol, 3-TBDMS-16,17-HFB. Tetrabenazine. 1,3,5(10)-Oestratriene-2-methoxy-3,17«beta»-diol, 3-TBDMS-17-HFB. 5-Hydroxytryptophan, methyl, 3-PFP. 4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide. 1,3,5(10)-Oestratriene-2-methoxy-3,16«alpha»,17«beta»-triol, 3-TBDMS-16,17-PFP. Equilin. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). Oxymorphone, bis(trimethylsilyl) ether. Oxymorphone. inosine-5'-monophosphate, TMS. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-.

Find more compounds similar to 2-Acetyl-1-tetralone.

Sources

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