Chemical Properties of 5-METHOXY-1-TETRALONE

5-METHOXY-1-TETRALONE

InChI
InChI=1S/C11H12O2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h3-4,7H,2,5-6H2,1H3
InChI Key
BRCPWISABURVIH-UHFFFAOYSA-N
Formula
C11H12O2
SMILES
COc1cccc2c1CCCC2=O
Molecular Weight1
176.22
Other Names
  • 1(2H)-Naphthalenone, 3,4-dihydro-5-methoxy-
  • 3,4-dihydro-5-methoxy-1(2H)-naphthalenone
  • 5-methoxy-1,2,3,4-tetrahydronaphthalen-1-one
  • «alpha»-Tetralone, 5-methoxy-
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Physical Properties

Property Value Unit Source
ΔfusH° 13.17 kJ/mol Joback Calculated Property
ΔsubH° 97.90 ± 0.40 kJ/mol NIST
ΔvapH° 78.93 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.214 Crippen Calculated Property
McVol 138.670 ml/mol McGowan Calculated Property
Tboil 581.64 K Relay (1.0) Calculated Property
Tfus 347.12 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 22.20 kJ/mol 362.50 NIST
ΔvapH 97.90 kJ/mol 298.15 Thermochemical study of some methoxytetralones

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 434.20 K 0.90 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [177.85; 454.71] 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-1.17900e+01
Coefficient B7.87220e-01
Coefficient C-3.45920e-04
Coefficient D2.52000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 177.85 J/mol×K 273.00 Calculated Property
Cp,gas 224.53 J/mol×K 353.78 Calculated Property
Cp,gas 267.05 J/mol×K 434.56 Calculated Property
Cp,gas 305.47 J/mol×K 515.33 Calculated Property
Cp,gas 339.90 J/mol×K 596.11 Calculated Property
Cp,gas 370.39 J/mol×K 676.89 Calculated Property
Cp,gas 397.04 J/mol×K 757.67 Calculated Property
Cp,gas 419.93 J/mol×K 838.44 Calculated Property
Cp,gas 439.12 J/mol×K 919.22 Calculated Property
Cp,gas 454.71 J/mol×K 1000.00 Calculated Property

Similar Compounds

7-METHOXY-1-TETRALONE. 5-Hydroxy-1-tetralone. Bunolol. 2(1H)-naphthalenone, 3,4-dihydro-5-methoxy-. 1(2H)-Naphthalenone, 3,4-dihydro-6-methoxy-. (-)-Bunolol, PFB-TMS. 6-Tetrahydrocannabinol, 7-hydroxy, allyl-DMS. .delta.1-tetrahydrocannabinolic acid, n-butyl-boronate. propyl-«delta»1-tetrahydrocannabinolic acid, n-butyl-boronate. Silane, [(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1,7-diyl)bis(oxy)]bis[trimethyl-, [6aR-(6a«alpha»,7«alpha»,10a«beta»)]-. 5,8-Dihydro-5,8-ethano-2-phenyl-3-(1-phenyl-5'-tetrazolylthio)-1,4-naphthohydroquinone. propyl-«delta»1-tetrahydrocannabinolic acid, methyl-boronate. 2-Dimethylamino-8(ar)-methoxy-tetrahydro-1-acenaphthone. Rhodoporphyrin-XV homologue, bis(trimethylsiloxy)silicon(IV) derivative. «delta»1-tetrahydrocannabinolic acid, methyl-boronate.

Find more compounds similar to 5-METHOXY-1-TETRALONE.

Sources

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