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

InChI

InChI=1S/C17H22F3NO5S/c1-5-8-27-15-12(24-3)9-11(6-7-21-10(2)22)13(25-4)14(15)26-16(23)17(18,19)20/h9H,5-8H2,1-4H3,(H,21,22)

InChI Key

FQGPLPUEGZRAJX-UHFFFAOYSA-N

Formula

C17H22F3NO5S

SMILES

CCCSc1c(OC)cc(CCNC(C)=O)c(OC)c1OC(=O)C(F)(F)F

Molecular Weight¹

409.42

• 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°	-865.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1327.12	kJ/mol	Joback Calculated Property
ΔfusH°	50.09	kJ/mol	Joback Calculated Property
ΔvapH°	88.59	kJ/mol	Joback Calculated Property
log10WS	-4.87		Crippen Calculated Property
logPoct/wat	3.352		Crippen Calculated Property
McVol	279.020	ml/mol	McGowan Calculated Property
Pc	1490.74	kPa	Joback Calculated Property
Inp	[2350.00; 2350.00]
Inp	2350.00		NIST
Inp	2350.00		NIST
Tboil	923.49	K	Joback Calculated Property
Tc	1136.13	K	Joback Calculated Property
Tfus	615.65	K	Joback Calculated Property
Vc	1.077	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[862.50; 911.50]	J/mol×K	[923.49; 1136.13]
Cp,gas	862.50	J/mol×K	923.49	Joback Calculated Property
Cp,gas	873.84	J/mol×K	958.93	Joback Calculated Property
Cp,gas	883.90	J/mol×K	994.37	Joback Calculated Property
Cp,gas	892.70	J/mol×K	1029.81	Joback Calculated Property
Cp,gas	900.23	J/mol×K	1065.25	Joback Calculated Property
Cp,gas	906.50	J/mol×K	1100.69	Joback Calculated Property
Cp,gas	911.50	J/mol×K	1136.13	Joback Calculated Property

Similar Compounds

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

Sources

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

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