Chemical Properties of (.+/-.)-Octopamine, N,N,O,O'-tetramethyl-

(.+/-.)-Octopamine, N,N,O,O'-tetramethyl-

InChI
InChI=1S/C12H19NO2/c1-13(2)9-12(15-4)10-5-7-11(14-3)8-6-10/h5-8,12H,9H2,1-4H3
InChI Key
JZJAYENCRJNUNQ-UHFFFAOYSA-N
Formula
C12H19NO2
SMILES
COc1ccc(C(CN(C)C)OC)cc1
Molecular Weight1
209.28
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Physical Properties

Property Value Unit Source
ΔfusH° 22.36 kJ/mol Joback Calculated Property
IE 7.74 eV Relay (1.0) Calculated Property
log10WS -0.93 Relay (1.0) Calculated Property
logPoct/wat 1.944 Crippen Calculated Property
McVol 177.900 ml/mol McGowan Calculated Property
Inp [1519.00; 1519.00]   Show Hide
Inp 1519.00 NIST
Inp 1519.00 NIST
Tboil 536.79 K Relay (1.0) Calculated Property
Tfus 312.08 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 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 [251.34; 592.42] 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 A1.10010e+01
Coefficient B1.00888e+00
Coefficient C-4.86960e-04
Coefficient D5.95000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 251.34 J/mol×K 273.00 Calculated Property
Cp,gas 309.61 J/mol×K 353.78 Calculated Property
Cp,gas 362.34 J/mol×K 434.56 Calculated Property
Cp,gas 409.73 J/mol×K 515.33 Calculated Property
Cp,gas 451.97 J/mol×K 596.11 Calculated Property
Cp,gas 489.24 J/mol×K 676.89 Calculated Property
Cp,gas 521.73 J/mol×K 757.67 Calculated Property
Cp,gas 549.63 J/mol×K 838.44 Calculated Property
Cp,gas 573.13 J/mol×K 919.22 Calculated Property
Cp,gas 592.42 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-(3,4-Dimethoxyphenyl)-2-methoxy-N,N-dimethylethanamine. DL-Norepinephrine, N,N-dimethyl-, trimethyl ether. (-)-Norepinephrine, N,N-dimethyl-, trimethyl ether. 2-phenyl-4-allyl-tetrahydro-1,4-oxazine. 2-phenyl-4-propyl-tetrahydro-1,4-oxazine. 2-phenyl-4-isopropyl-tetrahydro-1,4-oxazine. p-Synephrine, TFA. 2-phenyl-4-butyl-tetrahydro-1,4-oxazine. 4-[1-Acetoxy-2-(diacetylamino)ethyl]phenyl acetate. 2-phenyl-4-isobutyl-tetrahydro-1,4-oxazine. 2-phenyl-4-pentyl-tetrahydro-1,4-oxazine. 2-phenyl-4-isopentyl-tetrahydro-1,4-oxazine. DL-Metanephrine, N,O,O'-tris(trifluoroacetyl)-. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. (-)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-.

Find more compounds similar to (.+/-.)-Octopamine, N,N,O,O'-tetramethyl-.

Sources

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