Chemical Properties of 1(3H)-Isobenzofuranone, 6,7-dimethoxy- (CAS 569-31-3)

1(3H)-Isobenzofuranone, 6,7-dimethoxy-

InChI
InChI=1S/C10H10O4/c1-12-7-4-3-6-5-14-10(11)8(6)9(7)13-2/h3-4H,5H2,1-2H3
InChI Key
ORFFGRQMMWVHIB-UHFFFAOYSA-N
Formula
C10H10O4
SMILES
COc1ccc2c(c1OC)C(=O)OC2
Molecular Weight1
194.18
CAS
569-31-3
Other Names
  • 6,7-Dimethoxy-2-benzofuran-1(3H)-one
  • 6,7-Dimethoxyphthalide
  • 6,7-dimethoxy-3H-2-benzofuran-1-one
  • Meconic lactone
  • Meconin
  • Meconine
  • Mekonin
  • NSC 35547
  • Opianyl
  • Phthalide, 6,7-dimethoxy-
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Physical Properties

Property Value Unit Source
ΔfusH° 21.46 kJ/mol Joback Calculated Property
IE 8.43 eV Relay (1.0) Calculated Property
log10WS -1.89 Aq. Solubility Prediction
logPoct/wat 1.374 Crippen Calculated Property
McVol 136.320 ml/mol McGowan Calculated Property
Inp [1765.00; 1769.00]   Show Hide
Inp 1765.00 NIST
Inp 1765.00 NIST
Inp 1768.00 NIST
Inp 1769.00 NIST
Inp 1768.00 NIST
Tboil 607.84 K Relay (1.0) Calculated Property
Tfus 374.90 K Aq. Solubility Prediction

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 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
Cp,gas [341.97; 408.64] J/mol×K [620.84; 853.43] Show Hide
Cp,gas 341.97 J/mol×K 620.84 Joback Calculated Property
Cp,gas 354.90 J/mol×K 659.60 Joback Calculated Property
Cp,gas 367.13 J/mol×K 698.37 Joback Calculated Property
Cp,gas 378.63 J/mol×K 737.13 Joback Calculated Property
Cp,gas 389.39 J/mol×K 775.90 Joback Calculated Property
Cp,gas 399.40 J/mol×K 814.66 Joback Calculated Property
Cp,gas 408.64 J/mol×K 853.43 Joback Calculated Property

Similar Compounds

Isobenzofuran-1(3H)-one, 3,6,7-trimethoxy-. killarniensolide, acetylated. killarniensolide. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TES. propyl-cannabinolic acid, TMS. 2-CO2Me-3,4-(OH)2-4'-OMe-bibenzyl, acetylated. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2,6-dimethoxy-phenol, TPS. Spiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-5',6'-dimethoxy-1'-methyl-, (R)-. cannabinolic acid, TMS. Cytidine, dimethyl-TMS derivative. N-Acetylnornarcotine. 7-acetyl-9-curassavoylheliotridine. Estra-1,3,5(10)-trien-17-one, 1-methyl-3,6,7-tris[(trifluoroacetyl)oxy]-, (6«alpha»,7«alpha»)-. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TPS. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3,4-dimethoxy, bis-TMS.

Find more compounds similar to 1(3H)-Isobenzofuranone, 6,7-dimethoxy-.

Sources

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