Chemical Properties of (.+/-.)-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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	51.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-268.14	kJ/mol	Joback Calculated Property
ΔfusH°	22.36	kJ/mol	Joback Calculated Property
ΔvapH°	51.72	kJ/mol	Joback Calculated Property
log10WS	-1.77		Crippen Calculated Property
logPoct/wat	1.944		Crippen Calculated Property
McVol	177.900	ml/mol	McGowan Calculated Property
Pc	2306.95	kPa	Joback Calculated Property
Inp	[1519.00; 1519.00]
Inp	1519.00		NIST
Inp	1519.00		NIST
Tboil	562.46	K	Joback Calculated Property
Tc	761.09	K	Joback Calculated Property
Tfus	325.87	K	Joback Calculated Property
Vc	0.647	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[434.99; 523.00]	J/mol×K	[562.46; 761.09]
Cp,gas	434.99	J/mol×K	562.46	Joback Calculated Property
Cp,gas	451.70	J/mol×K	595.56	Joback Calculated Property
Cp,gas	467.58	J/mol×K	628.67	Joback Calculated Property
Cp,gas	482.63	J/mol×K	661.77	Joback Calculated Property
Cp,gas	496.88	J/mol×K	694.88	Joback Calculated Property
Cp,gas	510.33	J/mol×K	727.98	Joback Calculated Property
Cp,gas	523.00	J/mol×K	761.09	Joback Calculated Property

Similar Compounds

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

Sources

• 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.