Chemical Properties of 4-((E)-2-Methylbut-2-enamido)butyl (E)-2-methylbut-2-enoate

InChI

InChI=1S/C14H23NO3/c1-5-11(3)13(16)15-9-7-8-10-18-14(17)12(4)6-2/h5-6H,7-10H2,1-4H3,(H,15,16)/b11-5+,12-6+

InChI Key

OMMYLLDWKUNBAJ-YDWXAUTNSA-N

Formula

C14H23NO3

SMILES

CC=C(C)C(=O)NCCCCOC(=O)C(C)=CC

Molecular Weight¹

253.34

• 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°	-63.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-421.34	kJ/mol	Joback Calculated Property
ΔfusH°	39.28	kJ/mol	Joback Calculated Property
ΔvapH°	69.17	kJ/mol	Joback Calculated Property
log10WS	-3.22		Crippen Calculated Property
logPoct/wat	2.358		Crippen Calculated Property
McVol	218.510	ml/mol	McGowan Calculated Property
Pc	1848.33	kPa	Joback Calculated Property
Inp	[2082.00; 2082.00]
Inp	2082.00		NIST
Inp	2082.00		NIST
Tboil	708.13	K	Joback Calculated Property
Tc	902.35	K	Joback Calculated Property
Tfus	384.21	K	Joback Calculated Property
Vc	0.847	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[605.42; 683.11]	J/mol×K	[708.13; 902.35]
Cp,gas	605.42	J/mol×K	708.13	Joback Calculated Property
Cp,gas	620.25	J/mol×K	740.50	Joback Calculated Property
Cp,gas	634.28	J/mol×K	772.87	Joback Calculated Property
Cp,gas	647.54	J/mol×K	805.24	Joback Calculated Property
Cp,gas	660.08	J/mol×K	837.61	Joback Calculated Property
Cp,gas	671.92	J/mol×K	869.98	Joback Calculated Property
Cp,gas	683.11	J/mol×K	902.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-((E)-2-Methylbut-2-enamido)butyl (E)-2-methylbut-2-enoate.

Sources

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

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