Chemical Properties of 3-Aminobutanoic acid, N-dimethylaminomethylene-, methyl ester

InChI

InChI=1S/C8H16N2O2/c1-7(5-8(11)12-4)9-6-10(2)3/h6-7H,5H2,1-4H3

InChI Key

QJWFAOFRLGFBRZ-UHFFFAOYSA-N

Formula

C8H16N2O2

SMILES

COC(=O)CC(C)N=CN(C)C

Molecular Weight¹

172.22

• 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	-308.78	kJ/mol	Joback Calculated Property
ΔvapH°	47.53	kJ/mol	Joback Calculated Property
log10WS	-0.38		Crippen Calculated Property
logPoct/wat	0.528		Crippen Calculated Property
McVol	146.680	ml/mol	McGowan Calculated Property
Pc	2405.28	kPa	Joback Calculated Property
Inp	[1193.00; 1193.00]
Inp	1193.00		NIST
Inp	1193.00		NIST
Tboil	547.41	K	Joback Calculated Property
Tc	741.73	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Aminobutanoic acid, N-dimethylaminomethylene-, methyl ester.

Sources

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

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