Chemical Properties of Phenethylamine, 2,5-dimethoxy-4-propylthio, N-methylene

InChI

InChI=1S/C14H21NO2S/c1-5-8-18-14-10-12(16-3)11(6-7-15-2)9-13(14)17-4/h9-10H,2,5-8H2,1,3-4H3

InChI Key

IMGMLSCTAZSZBT-UHFFFAOYSA-N

Formula

C14H21NO2S

SMILES

C=NCCc1cc(OC)c(SCCC)cc1OC

Molecular Weight¹

267.39

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-262.31	kJ/mol	Joback Calculated Property
ΔvapH°	65.34	kJ/mol	Joback Calculated Property
log10WS	-3.68		Crippen Calculated Property
logPoct/wat	3.449		Crippen Calculated Property
McVol	218.130	ml/mol	McGowan Calculated Property
Pc	1724.59	kPa	Joback Calculated Property
Inp	[2060.00; 2060.00]
Inp	2060.00		NIST
Inp	2060.00		NIST
Tboil	744.16	K	Joback Calculated Property
Tc	962.38	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenethylamine, 2,5-dimethoxy-4-propylthio, N-methylene.

Sources

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

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