Chemical Properties of Tyramine, N,N-dimethyl-, methyl ether

InChI

InChI=1S/C11H17NO/c1-12(2)9-8-10-4-6-11(13-3)7-5-10/h4-7H,8-9H2,1-3H3

InChI Key

BGSZBHCYLIHECZ-UHFFFAOYSA-N

Formula

C11H17NO

SMILES

COc1ccc(CCN(C)C)cc1

Molecular Weight¹

179.26

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.11	kJ/mol	Joback Calculated Property
IE	7.89	eV	Relay (1.0) Calculated Property
log10WS	-1.58		Relay (1.0) Calculated Property
logPoct/wat	1.799		Crippen Calculated Property
McVol	157.940	ml/mol	McGowan Calculated Property
Inp	[1430.30; 1430.30]
Inp	1430.30		NIST
Inp	1430.30		NIST
Tboil	523.36	K	Relay (1.0) Calculated Property
Tc	716.21	K	Relay (1.0) Calculated Property
Tfus	286.37	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[215.04; 521.79]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.19080e+01
Coefficient B			9.71160e-01
Coefficient C			-5.40360e-04
Coefficient D			1.02900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	215.04	J/mol×K	273.00	Calculated Property
Cp,gas	268.59	J/mol×K	353.78	Calculated Property
Cp,gas	316.52	J/mol×K	434.56	Calculated Property
Cp,gas	359.14	J/mol×K	515.33	Calculated Property
Cp,gas	396.79	J/mol×K	596.11	Calculated Property
Cp,gas	429.79	J/mol×K	676.89	Calculated Property
Cp,gas	458.47	J/mol×K	757.67	Calculated Property
Cp,gas	483.14	J/mol×K	838.44	Calculated Property
Cp,gas	504.14	J/mol×K	919.22	Calculated Property
Cp,gas	521.79	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Tyramine, N,N-dimethyl-, methyl ether.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
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