Chemical Properties of 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-N-acetyl-), isomer 1, propionylated

InChI

InChI=1S/C17H25NO5/c1-6-12-10-14(21-4)13(8-9-18-11(3)19)17(16(12)22-5)23-15(20)7-2/h10H,6-9H2,1-5H3,(H,18,19)

InChI Key

GEWCITSBOXBRCD-UHFFFAOYSA-N

Formula

C17H25NO5

SMILES

CCC(=O)Oc1c(CCNC(C)=O)c(OC)cc(CC)c1OC

Molecular Weight¹

323.38

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.9409		Relay (... Calculated Property
ΔfG°	-317.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-840.06	kJ/mol	Relay (... Calculated Property
ΔfusH°	44.13	kJ/mol	Joback Calculated Property
ΔvapH°	102.83	kJ/mol	Relay (... Calculated Property
IE	7.77	eV	Relay (... Calculated Property
log10WS	-2.50		Relay (... Calculated Property
logPoct/wat	2.260		Crippen Calculated Property
McVol	257.360	ml/mol	McGowan Calculated Property
Pc	1611.58	kPa	Joback Calculated Property
Inp	[2370.00; 2370.00]
Inp	2370.00		NIST
Inp	2370.00		NIST
Tboil	636.18	K	Relay (... Calculated Property
Tc	867.28	K	Relay (... Calculated Property
Tfus	367.18	K	Relay (... Calculated Property
Vc	0.938	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[786.73; 852.64]	J/mol×K	[860.13; 1066.30]
Cp,gas	786.73	J/mol×K	860.13	Joback Calculated Property
Cp,gas	800.66	J/mol×K	894.49	Joback Calculated Property
Cp,gas	813.42	J/mol×K	928.85	Joback Calculated Property
Cp,gas	825.01	J/mol×K	963.22	Joback Calculated Property
Cp,gas	835.43	J/mol×K	997.58	Joback Calculated Property
Cp,gas	844.64	J/mol×K	1031.94	Joback Calculated Property
Cp,gas	852.64	J/mol×K	1066.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-N-acetyl-), isomer 1, propionylated.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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