Chemical Properties of Phenethylamine, 2,5-dimethoxy-4-propylthio, N-acetyl, sulfone, acetoxy-M

InChI

InChI=1S/C17H25NO7S/c1-6-9-26(21,22)17-14(23-4)10-13(7-8-18-11(2)19)15(24-5)16(17)25-12(3)20/h10H,6-9H2,1-5H3,(H,18,19)

InChI Key

XKTSEIISPXQCTI-UHFFFAOYSA-N

Formula

C17H25NO7S

SMILES

CCCS(=O)(=O)c1c(OC)cc(CCN=C(C)O)c(OC)c1OC(C)=O

Molecular Weight¹

387.45

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	1.1229		Relay (... Calculated Property
ΔfG°	-593.76	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1103.30	kJ/mol	Relay (... Calculated Property
ΔvapH°	135.22	kJ/mol	Relay (... Calculated Property
IE	7.65	eV	Relay (... Calculated Property
log10WS	-2.89		Relay (... Calculated Property
logPoct/wat	2.332		Crippen Calculated Property
McVol	285.450	ml/mol	McGowan Calculated Property
Pc	1707.53	kPa	Joback Calculated Property
Inp	[2760.00; 2760.00]
Inp	2760.00		NIST
Inp	2760.00		NIST
Tboil	714.21	K	Relay (... Calculated Property
Tc	944.35	K	Relay (... Calculated Property
Tfus	407.96	K	Relay (... Calculated Property
Vc	1.014	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Phenethylamine, 2,5-dimethoxy-4-propylthio, N-acetyl, sulfone, acetoxy-M.

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

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