Chemical Properties of 1,4-Naphthalenedione, 2-methoxy-

1,4-Naphthalenedione, 2-methoxy-

InChI
InChI=1S/C11H8O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H3
InChI Key
OBGBGHKYJAOXRR-UHFFFAOYSA-N
Formula
C11H8O3
SMILES
COC1=CC(=O)c2ccccc2C1=O
Molecular Weight1
188.18
Other Names
  • 1,4-Naphthoquinone, 2-methoxy-
  • 2-Methoxy-p-naphthoquinone
  • 2-Methoxy-1,4-naphthoquinone
  • 2-Methoxynaphthoquinone
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfH°gas -263.73 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 13.90 kJ/mol Joback Calculated Property
IE [9.00; 9.50] eV Show Hide
IE 9.00 eV NIST
IE 9.50 eV NIST
log10WS -2.99 Relay (1.0) Calculated Property
logPoct/wat 1.596 Crippen Calculated Property
McVol 135.940 ml/mol McGowan Calculated Property
Tboil 595.22 K Relay (1.0) Calculated Property
Tfus 403.06 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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 [177.75; 422.54] 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 A3.24200e+01
Coefficient B5.62920e-01
Coefficient C-8.92000e-05
Coefficient D-8.36000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 177.75 J/mol×K 273.00 Calculated Property
Cp,gas 216.70 J/mol×K 353.78 Calculated Property
Cp,gas 253.34 J/mol×K 434.56 Calculated Property
Cp,gas 287.38 J/mol×K 515.33 Calculated Property
Cp,gas 318.58 J/mol×K 596.11 Calculated Property
Cp,gas 346.66 J/mol×K 676.89 Calculated Property
Cp,gas 371.36 J/mol×K 757.67 Calculated Property
Cp,gas 392.42 J/mol×K 838.44 Calculated Property
Cp,gas 409.56 J/mol×K 919.22 Calculated Property
Cp,gas 422.54 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,4-Naphthalenedione, 2-(acetyloxy)-. 1,4-Naphthalenedione, 2-hydroxy-. 2-(tert-Butyldimethylsilyl)oxynaphthalene-1,4-dione. Delta 1(2)-alpha- naphthalenemalonic acid, 3-hydroxy-4-oxo-, diethyl ester. 1,4-Naphthalenedione, 2,3-dihydroxy-. Rhodoporphyrin-XV homologue, bis(trimethylsiloxy)silicon(IV) derivative. Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6-nitro-. Lapachol. Cytidine, methyl-TMS derivative. Pinacol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. (2S,3S)-Butane-2,3-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. 2-(2-Pyridyl)propane-1,3-diol, ferroceneboronate derivative. OXYPHENCYCLIMINE. Hexahydro-3,3,5-trimethyl-2-p-tolyl-1,4,2-diazaphosphorine-2-oxide. Venlafaxine-M (O-desmethyl-HO-) isomer-1 2AC.

Find more compounds similar to 1,4-Naphthalenedione, 2-methoxy-.

Sources

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.