Chemical Properties of 3-((E)-2-Methylbut-2-enamido)propyl (E)-2-methylbut-2-enoate

InChI

InChI=1S/C13H21NO3/c1-5-10(3)12(15)14-8-7-9-17-13(16)11(4)6-2/h5-6H,7-9H2,1-4H3,(H,14,15)/b10-5+,11-6+

InChI Key

SVVFURUTCNYAPB-YOYBCKCWSA-N

Formula

C13H21NO3

SMILES

CC=C(C)C(=O)NCCCOC(=O)C(C)=CC

Molecular Weight¹

239.31

• 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°	-71.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-400.70	kJ/mol	Joback Calculated Property
ΔfusH°	36.69	kJ/mol	Joback Calculated Property
ΔvapH°	66.95	kJ/mol	Joback Calculated Property
log10WS	-2.80		Crippen Calculated Property
logPoct/wat	1.968		Crippen Calculated Property
McVol	204.420	ml/mol	McGowan Calculated Property
Pc	2010.90	kPa	Joback Calculated Property
Inp	[1956.00; 1956.00]
Inp	1956.00		NIST
Inp	1956.00		NIST
Tboil	685.25	K	Joback Calculated Property
Tc	881.19	K	Joback Calculated Property
Tfus	372.94	K	Joback Calculated Property
Vc	0.790	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[551.95; 627.16]	J/mol×K	[685.25; 881.19]
Cp,gas	551.95	J/mol×K	685.25	Joback Calculated Property
Cp,gas	566.33	J/mol×K	717.91	Joback Calculated Property
Cp,gas	579.92	J/mol×K	750.56	Joback Calculated Property
Cp,gas	592.76	J/mol×K	783.22	Joback Calculated Property
Cp,gas	604.89	J/mol×K	815.88	Joback Calculated Property
Cp,gas	616.34	J/mol×K	848.53	Joback Calculated Property
Cp,gas	627.16	J/mol×K	881.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-((E)-2-Methylbut-2-enamido)propyl (E)-2-methylbut-2-enoate.

Sources

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

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