Chemical Properties of 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-desamino-COOH), isomer 2, methyl-acetylated

InChI

InChI=1S/C15H20O6/c1-6-11-12(18-3)7-10(8-13(17)19-4)14(20-5)15(11)21-9(2)16/h7H,6,8H2,1-5H3

InChI Key

AIUASVJFWJVONJ-UHFFFAOYSA-N

Formula

C15H20O6

SMILES

CCc1c(OC)cc(CC(=O)OC)c(OC)c1OC(C)=O

Molecular Weight¹

296.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-528.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-916.32	kJ/mol	Joback Calculated Property
ΔfusH°	35.04	kJ/mol	Joback Calculated Property
ΔvapH°	77.04	kJ/mol	Joback Calculated Property
log10WS	-2.91		Crippen Calculated Property
logPoct/wat	1.907		Crippen Calculated Property
McVol	225.070	ml/mol	McGowan Calculated Property
Pc	1843.58	kPa	Joback Calculated Property
Inp	[2150.00; 2150.00]
Inp	2150.00		NIST
Inp	2150.00		NIST
Tboil	786.62	K	Joback Calculated Property
Tc	990.81	K	Joback Calculated Property
Tfus	524.09	K	Joback Calculated Property
Vc	0.852	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[645.26; 712.45]	J/mol×K	[786.62; 990.81]
Cp,gas	645.26	J/mol×K	786.62	Joback Calculated Property
Cp,gas	659.05	J/mol×K	820.65	Joback Calculated Property
Cp,gas	671.85	J/mol×K	854.68	Joback Calculated Property
Cp,gas	683.63	J/mol×K	888.72	Joback Calculated Property
Cp,gas	694.34	J/mol×K	922.75	Joback Calculated Property
Cp,gas	703.96	J/mol×K	956.78	Joback Calculated Property
Cp,gas	712.45	J/mol×K	990.81	Joback Calculated Property
η	[0.0000631; 0.0003164]	Pa×s	[524.09; 786.62]
η	0.0003164	Pa×s	524.09	Joback Calculated Property
η	0.0002181	Pa×s	567.85	Joback Calculated Property
η	0.0001585	Pa×s	611.60	Joback Calculated Property
η	0.0001202	Pa×s	655.36	Joback Calculated Property
η	0.0000944	Pa×s	699.11	Joback Calculated Property
η	0.0000763	Pa×s	742.87	Joback Calculated Property
η	0.0000631	Pa×s	786.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-desamino-COOH), isomer 2, methyl-acetylated.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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