Chemical Properties of 3-Hydroxycarbofuran

3-Hydroxycarbofuran

InChI
InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)
InChI Key
RHSUJRQZTQNSLL-UHFFFAOYSA-N
Formula
C12H15NO4
SMILES
CNC(=O)Oc1cccc2c1OC(C)(C)C2O
Molecular Weight1
237.26
Other Names
  • 3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7-(methylcarbamate)
  • Carbamic acid, methyl-, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl ester
  • Carbamic acid, methyl-, 2,3-dihydro-2,2-dimethyl-3-hydroxy-7-benzofuranyl ester
  • Carbofuran 3-oh
  • Carbofuran, 3-hydroxy
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Physical Properties

Property Value Unit Source
ΔfusH° 34.54 kJ/mol Joback Calculated Property
log10WS -1.88 Relay (1.0) Calculated Property
logPoct/wat 1.609 Crippen Calculated Property
McVol 174.480 ml/mol McGowan Calculated Property
Tfus 399.84 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy 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 [245.17; 590.73] 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-6.08100e+01
Coefficient B1.41466e+00
Coefficient C-1.19402e-03
Coefficient D4.30900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 245.17 J/mol×K 273.00 Calculated Property
Cp,gas 309.30 J/mol×K 353.78 Calculated Property
Cp,gas 363.82 J/mol×K 434.56 Calculated Property
Cp,gas 410.09 J/mol×K 515.33 Calculated Property
Cp,gas 449.47 J/mol×K 596.11 Calculated Property
Cp,gas 483.32 J/mol×K 676.89 Calculated Property
Cp,gas 513.01 J/mol×K 757.67 Calculated Property
Cp,gas 539.90 J/mol×K 838.44 Calculated Property
Cp,gas 565.35 J/mol×K 919.22 Calculated Property
Cp,gas 590.73 J/mol×K 1000.00 Calculated Property

Similar Compounds

3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-. propyl-«delta»1-tetrahydrocannabinolic acid, TMS. «delta»1-tetrahydrocannabinolic acid, TMS. Nalmefene, bis(trifluoroacetate). ethyl eburnamenine-14-carboxylate. xanthosine-5'-monophosphate, TMS. inosine-5'-monophosphate, TMS. risperidone. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Quinine, trimethylsilyl ether. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. mithramycin a. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate.

Find more compounds similar to 3-Hydroxycarbofuran.

Sources

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