Chemical Properties of Ethofumesate (CAS 26225-79-6)

Ethofumesate

InChI
InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3
InChI Key
IRCMYGHHKLLGHV-UHFFFAOYSA-N
Formula
C13H18O5S
SMILES
CCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C
Molecular Weight1
286.34
CAS
26225-79-6
Other Names
  • (.+/-.)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranol methanesulfonate
  • (.+/-.)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranylmethanesulfonate
  • (dl)-2-ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranylmethanesulfonate
  • 2-Ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate
  • 5-Benzofuranol, 2-Ethoxy-2,3-dihydro-3,3-dimethyl-, methanesulfonate
  • 5-Benzofuranol, 2-ethoxy-2,3-dihydro-3,3-dimethyl-, methanesulfonate, (.+/-.)-
  • CR 14658
  • NC 8438
  • Norton
  • Nortran
  • Nortranese
  • Nortron
  • Nortron (new)
  • Prograss
  • Tramat
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
ΔfusH° 37.33 kJ/mol Joback Calculated Property
log10WS [-3.42; -3.42]   Show Hide
log10WS -3.42 Aq. Solubility Prediction
log10WS -3.42 Estimated Solubility
logPoct/wat 2.058 Crippen Calculated Property
McVol 205.110 ml/mol McGowan Calculated Property
Inp [1910.00; 1953.00]   Show Hide
Inp 1910.00 NIST
Inp 1924.00 NIST
Inp 1953.00 NIST
Inp 1951.00 NIST
Inp 1910.00 NIST
Inp 1953.00 NIST
Tfus [344.15; 345.62] K Show Hide
Tfus 344.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 345.62 ± 0.20 K NIST

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
ΔfusH 26.25 kJ/mol 344.10 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [298.18; 684.88] 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-6.96900e+00
Coefficient B1.36147e+00
Coefficient C-9.76420e-04
Coefficient D3.06800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 298.18 J/mol×K 273.00 Calculated Property
Cp,gas 366.07 J/mol×K 353.78 Calculated Property
Cp,gas 425.46 J/mol×K 434.56 Calculated Property
Cp,gas 477.32 J/mol×K 515.33 Calculated Property
Cp,gas 522.64 J/mol×K 596.11 Calculated Property
Cp,gas 562.37 J/mol×K 676.89 Calculated Property
Cp,gas 597.49 J/mol×K 757.67 Calculated Property
Cp,gas 628.97 J/mol×K 838.44 Calculated Property
Cp,gas 657.78 J/mol×K 919.22 Calculated Property
Cp,gas 684.88 J/mol×K 1000.00 Calculated Property

Similar Compounds

6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. narwedine. Hydrastine. Tazettine. Butorphanol di-TMS derivative. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. norbormide. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Noscapine. Moexipril desethyl 3Me (Moexprilate 3Me). 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Moexipril Me. cis-1,2-Tetralinediol, ferrocenylboronate. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate.

Find more compounds similar to Ethofumesate.

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.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.