Chemical Properties of Ethylamphetamine-M (di-HO-), 3AC

InChI

InChI=1S/C17H23NO5/c1-6-18(12(3)19)11(2)9-15-7-8-16(22-13(4)20)10-17(15)23-14(5)21/h7-8,10-11H,6,9H2,1-5H3

InChI Key

PHZSGMXGHURGHA-UHFFFAOYSA-N

Formula

C17H23NO5

SMILES

CCN(C(C)=O)C(C)Cc1ccc(OC(C)=O)cc1OC(C)=O

Molecular Weight¹

321.37

• 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	0.8388		Relay (... Calculated Property
ΔfG°	-303.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-915.07	kJ/mol	Relay (... Calculated Property
ΔfusH°	39.72	kJ/mol	Joback Calculated Property
ΔvapH°	99.73	kJ/mol	Relay (... Calculated Property
IE	7.90	eV	Relay (... Calculated Property
log10WS	-2.12		Relay (... Calculated Property
logPoct/wat	2.337		Crippen Calculated Property
McVol	253.060	ml/mol	McGowan Calculated Property
Pc	1753.60	kPa	Joback Calculated Property
Inp	[2200.00; 2200.00]
Inp	2200.00		NIST
Inp	2200.00		NIST
Tboil	618.89	K	Relay (... Calculated Property
Tc	835.57	K	Relay (... Calculated Property
Tfus	355.17	K	Relay (... Calculated Property
Vc	0.911	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[761.26; 827.48]	J/mol×K	[843.45; 1053.02]
Cp,gas	761.26	J/mol×K	843.45	Joback Calculated Property
Cp,gas	775.04	J/mol×K	878.38	Joback Calculated Property
Cp,gas	787.70	J/mol×K	913.31	Joback Calculated Property
Cp,gas	799.26	J/mol×K	948.24	Joback Calculated Property
Cp,gas	809.73	J/mol×K	983.16	Joback Calculated Property
Cp,gas	819.13	J/mol×K	1018.09	Joback Calculated Property
Cp,gas	827.48	J/mol×K	1053.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethylamphetamine-M (di-HO-), 3AC.

Sources

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

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