Chemical Properties of «beta»-Alanine, N-acryloyl-, butyl ester

InChI

InChI=1S/C10H17NO3/c1-3-5-8-14-10(13)6-7-11-9(12)4-2/h4H,2-3,5-8H2,1H3,(H,11,12)

InChI Key

JPICICRJSFKZQY-UHFFFAOYSA-N

Formula

C10H17NO3

SMILES

C=CC(=O)NCCC(=O)OCCCC

Molecular Weight¹

199.25

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6940		Relay (1.0) Calculated Property
ΔfG°	-152.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-584.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.86	kJ/mol	Joback Calculated Property
ΔvapH°	71.41	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-1.61		Relay (1.0) Calculated Property
logPoct/wat	1.022		Crippen Calculated Property
McVol	166.450	ml/mol	McGowan Calculated Property
Pc	2465.36	kPa	Joback Calculated Property
Inp	[1578.00; 1578.00]
Inp	1578.00		NIST
Inp	1578.00		NIST
Tboil	538.60	K	Relay (1.0) Calculated Property
Tc	725.89	K	Relay (1.0) Calculated Property
Tfus	274.25	K	Relay (1.0) Calculated Property
Vc	0.607	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[420.50; 488.19]	J/mol×K	[605.21; 791.03]
Cp,gas	420.50	J/mol×K	605.21	Joback Calculated Property
Cp,gas	433.30	J/mol×K	636.18	Joback Calculated Property
Cp,gas	445.47	J/mol×K	667.15	Joback Calculated Property
Cp,gas	457.04	J/mol×K	698.12	Joback Calculated Property
Cp,gas	468.00	J/mol×K	729.09	Joback Calculated Property
Cp,gas	478.38	J/mol×K	760.06	Joback Calculated Property
Cp,gas	488.19	J/mol×K	791.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-acryloyl-, butyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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