Chemical Properties of (.+/-.)-BDB (CAS 107447-03-0)

(.+/-.)-BDB

InChI
InChI=1S/C11H15NO2/c1-2-9(12)5-8-3-4-10-11(6-8)14-7-13-10/h3-4,6,9H,2,5,7,12H2,1H3
InChI Key
VHMRXGAIDDCGDU-UHFFFAOYSA-N
Formula
C11H15NO2
SMILES
CCC(N)Cc1ccc2c(c1)OCO2
Molecular Weight1
193.24
CAS
107447-03-0
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Physical Properties

Property Value Unit Source
ΔfusH° 32.20 kJ/mol Joback Calculated Property
ΔvapH° 74.38 kJ/mol Relay (1.0) Calculated Property
IE 7.91 eV Relay (1.0) Calculated Property
logPoct/wat 1.695 Crippen Calculated Property
McVol 152.950 ml/mol McGowan Calculated Property
Inp [1619.50; 1619.50]   Show Hide
Inp 1619.50 NIST
Inp 1619.50 NIST
Tboil 550.39 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 [215.75; 510.85] 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-2.91480e+01
Coefficient B1.09012e+00
Coefficient C-7.66120e-04
Coefficient D2.16000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 215.75 J/mol×K 273.00 Calculated Property
Cp,gas 270.19 J/mol×K 353.78 Calculated Property
Cp,gas 317.62 J/mol×K 434.56 Calculated Property
Cp,gas 358.73 J/mol×K 515.33 Calculated Property
Cp,gas 394.20 J/mol×K 596.11 Calculated Property
Cp,gas 424.71 J/mol×K 676.89 Calculated Property
Cp,gas 450.95 J/mol×K 757.67 Calculated Property
Cp,gas 473.60 J/mol×K 838.44 Calculated Property
Cp,gas 493.34 J/mol×K 919.22 Calculated Property
Cp,gas 510.85 J/mol×K 1000.00 Calculated Property

Similar Compounds

N-Methyl-1-(1,3-benzodioxol-5-yl)-2-butanamine. Tenamfetamine. Tenamfetamine. (.+/-.)-BDB, N-trimethylsilyl-. (.+/-.)-N-Hydroxy-3,4-methylenedioxyamphetamine, trimethylsilyl ether. Methylenedioxyamphetamine acetate. Benzenethanamine, 3,4-dimethoxy-«alpha»-methyl-. N-methyl-3,4-methylenedioxyamphetamine. (.+/-.)-MDEA. 3,4-Methylenedioxy-2-methoxyamphetamine. Methylenedioxyamphetamine, N,-heptafluorobutyryl deriv.. (.+/-.)-N-Hydroxy-3,4-methylenedioxyamphetamine, tert-butyldimethylsilyl ether. Phenethylamine, 2-methoxy-«alpha»-methyl-4,5-(methylenedioxy)-. 1,2-Benzenediol, 4-[2-[[2-(1,3-benzodioxol-5-yl)-1-methylethyl]amino]-1-hydroxyethyl]-. (.+/-.)-3,4-Methylenedioxyamphetamine, N-trimethylsilyl-.

Find more compounds similar to (.+/-.)-BDB.

Sources

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