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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [507.03; 575.24] J/mol×K [740.63; 950.92] Show Hide
Cp,gas 507.03 J/mol×K 740.63 Joback Calculated Property
Cp,gas 519.20 J/mol×K 775.68 Joback Calculated Property
Cp,gas 530.90 J/mol×K 810.73 Joback Calculated Property
Cp,gas 542.25 J/mol×K 845.77 Joback Calculated Property
Cp,gas 553.35 J/mol×K 880.82 Joback Calculated Property
Cp,gas 564.31 J/mol×K 915.87 Joback Calculated Property
Cp,gas 575.24 J/mol×K 950.92 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to 3-Hydroxycarbofuran.

Sources

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