Chemical Properties of S-Carboxymethyl-L-cysteine, N-dimethylaminomethylene, diethyl ester

InChI

InChI=1S/C12H22N2O4S/c1-5-17-11(15)8-19-7-10(12(16)18-6-2)13-9-14(3)4/h9-10H,5-8H2,1-4H3

InChI Key

KIMLQTYYXYYATQ-UHFFFAOYSA-N

Formula

C12H22N2O4S

SMILES

CCOC(=O)CSCC(N=CN(C)C)C(=O)OCC

Molecular Weight¹

290.38

• 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	-594.27	kJ/mol	Joback Calculated Property
ΔvapH°	72.40	kJ/mol	Joback Calculated Property
log10WS	-0.80		Crippen Calculated Property
logPoct/wat	0.804		Crippen Calculated Property
McVol	226.830	ml/mol	McGowan Calculated Property
Pc	1795.46	kPa	Joback Calculated Property
Inp	[1993.00; 1993.00]
Inp	1993.00		NIST
Inp	1993.00		NIST
Tboil	784.00	K	Joback Calculated Property
Tc	989.82	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to S-Carboxymethyl-L-cysteine, N-dimethylaminomethylene, diethyl ester.

Sources

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

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