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_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
ΔfH°gas	-584.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.44	kJ/mol	Joback Calculated Property
ΔvapH°	72.51	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	2367.97	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	729.83	K	Relay (1.0) Calculated Property
Tfus	270.24	K	Relay (1.0) Calculated Property
Vc	0.610	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[416.02; 484.68]	J/mol×K	[587.34; 770.78]
Cp,gas	416.02	J/mol×K	587.34	Joback Calculated Property
Cp,gas	429.06	J/mol×K	617.91	Joback Calculated Property
Cp,gas	441.44	J/mol×K	648.49	Joback Calculated Property
Cp,gas	453.18	J/mol×K	679.06	Joback Calculated Property
Cp,gas	464.30	J/mol×K	709.64	Joback Calculated Property
Cp,gas	474.79	J/mol×K	740.21	Joback Calculated Property
Cp,gas	484.68	J/mol×K	770.78	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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