Chemical Properties of Hordenine (CAS 539-15-1)

Hordenine

InChI
InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3
InChI Key
KUBCEEMXQZUPDQ-UHFFFAOYSA-N
Formula
C10H15NO
SMILES
CN(C)CCc1ccc(O)cc1
Molecular Weight1
165.23
CAS
539-15-1
Other Names
  • 4-(2-dimethylaminoethyl)phenol
  • Anhalin
  • Anhaline
  • Cactine
  • Eremursine
  • Hordenin
  • N,N-Dimethyl-2-(4-hydroxyphenyl)ethylamine
  • N,N-Dimethyl-4-hydroxy-«beta»-phenethylamine
  • N,N-Dimethyl-p-hydroxyphenethylamine
  • N,N-Dimethyltyramine
  • Ordenina
  • Ordenine
  • Peyocactine
  • Phenol, 4-[2-(dimethylamino)ethyl]-
  • Phenol, p-[2-(dimethylamino)ethyl]-
  • p-Hydroxy-N,N-dimethylphenethylamine
  • p-[2-(Dimethylamino)ethyl]phenol
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Physical Properties

Property Value Unit Source
ΔfH°gas -84.86 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 24.50 kJ/mol Joback Calculated Property
IE 7.97 eV Relay (1.0) Calculated Property
log10WS -0.52 Relay (1.0) Calculated Property
logPoct/wat 1.496 Crippen Calculated Property
McVol 143.850 ml/mol McGowan Calculated Property
Inp [1485.00; 1495.00]   Show Hide
Inp 1495.00 NIST
Inp 1485.00 NIST
Inp 1490.00 NIST
Inp 1490.00 NIST
Inp 1495.00 NIST
Inp 1485.00 NIST
Tboil 546.66 K Relay (1.0) Calculated Property
Tc 748.79 K Relay (1.0) Calculated Property
Tfus 390.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Pressure, Critical Volume, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [192.76; 477.16] 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-5.97180e+01
Coefficient B1.15344e+00
Coefficient C-9.20360e-04
Coefficient D3.03800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 192.76 J/mol×K 273.00 Calculated Property
Cp,gas 246.60 J/mol×K 353.78 Calculated Property
Cp,gas 292.65 J/mol×K 434.56 Calculated Property
Cp,gas 331.85 J/mol×K 515.33 Calculated Property
Cp,gas 365.16 J/mol×K 596.11 Calculated Property
Cp,gas 393.56 J/mol×K 676.89 Calculated Property
Cp,gas 418.00 J/mol×K 757.67 Calculated Property
Cp,gas 439.44 J/mol×K 838.44 Calculated Property
Cp,gas 458.84 J/mol×K 919.22 Calculated Property
Cp,gas 477.16 J/mol×K 1000.00 Calculated Property

Similar Compounds

Tyramine, N,N-dimethyl-, methyl ether. Phenol, 4-[2-(methylamino)ethyl]-. Benzeneethanamine, N,N-dimethyl-. Benzeneethanamine, N-methyl-N-(2-phenylethyl)-. 4-(2-Isothiocyanatoethyl)phenol. Phenol, 4-(2-aminoethyl)-. Dopamine, n,n-dimethyl-, dimethyl ether. Tyramine, N-formyl-. N-Acetyltyramine. N-Phenethylazetidine. Piperazine, 1-phenethyl-4-(2-propynyl)-,. Benzeneethanamine, N-methyl-. Phenethylamine, n,n-dibutyl-. Phenol, 4-ethyl-. N-ETHYL-2-PHENETHYLAMINE.

Find more compounds similar to Hordenine.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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