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

InChI

InChI=1S/C23H43NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-23(26)19-20-24-22(25)4-2/h4H,2-3,5-21H2,1H3,(H,24,25)

InChI Key

IIEDWJAFEVXBQS-UHFFFAOYSA-N

Formula

C23H43NO3

SMILES

C=CC(=O)NCCC(=O)OCCCCCCCCCCCCCCCCC

Molecular Weight¹

381.59

• 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	1.1581		Relay (... Calculated Property
ΔfG°	-42.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-857.26	kJ/mol	Relay (... Calculated Property
ΔfusH°	63.53	kJ/mol	Joback Calculated Property
ΔvapH°	120.89	kJ/mol	Relay (... Calculated Property
IE	9.47	eV	Relay (... Calculated Property
log10WS	-6.30		Relay (... Calculated Property
logPoct/wat	6.093		Crippen Calculated Property
McVol	349.620	ml/mol	McGowan Calculated Property
Pc	939.79	kPa	Joback Calculated Property
Inp	[2937.00; 2937.00]
Inp	2937.00		NIST
Inp	2937.00		NIST
Tboil	646.87	K	Relay (... Calculated Property
Tc	849.14	K	Relay (... Calculated Property
Tfus	329.79	K	Relay (... Calculated Property
Vc	1.321	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1159.45; 1255.93]	J/mol×K	[902.65; 1105.55]
Cp,gas	1159.45	J/mol×K	902.65	Joback Calculated Property
Cp,gas	1178.44	J/mol×K	936.47	Joback Calculated Property
Cp,gas	1196.21	J/mol×K	970.28	Joback Calculated Property
Cp,gas	1212.79	J/mol×K	1004.10	Joback Calculated Property
Cp,gas	1228.23	J/mol×K	1037.92	Joback Calculated Property
Cp,gas	1242.60	J/mol×K	1071.73	Joback Calculated Property
Cp,gas	1255.93	J/mol×K	1105.55	Joback Calculated Property

Similar Compounds

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

Sources

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

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