Chemical Properties of «beta»-Alanine, N-isobutyryl-, propyl ester

InChI

InChI=1S/C10H19NO3/c1-4-7-14-9(12)5-6-11-10(13)8(2)3/h8H,4-7H2,1-3H3,(H,11,13)

InChI Key

YRGUXIFUHXGBAZ-UHFFFAOYSA-N

Formula

C10H19NO3

SMILES

CCCOC(=O)CCN=C(O)C(C)C

Molecular Weight¹

201.26

• 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	-579.61	kJ/mol	Joback Calculated Property
ΔvapH°	66.70	kJ/mol	Joback Calculated Property
log10WS	-1.61		Crippen Calculated Property
logPoct/wat	1.942		Crippen Calculated Property
McVol	170.750	ml/mol	McGowan Calculated Property
Pc	2200.01	kPa	Joback Calculated Property
Inp	[1508.00; 1508.00]
Inp	1508.00		NIST
Inp	1508.00		NIST
Tboil	672.79	K	Joback Calculated Property
Tc	858.54	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-isobutyryl-, propyl ester.

Sources

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

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