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

InChI

InChI=1S/C24H45NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28-24(27)20-21-25-23(26)4-2/h4H,2-3,5-22H2,1H3,(H,25,26)

InChI Key

OEKXWVFTOJXFIN-UHFFFAOYSA-N

Formula

C24H45NO3

SMILES

C=CC(=O)NCCC(=O)OCCCCCCCCCCCCCCCCCC

Molecular Weight¹

395.62

• 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	1.1933		Relay (... Calculated Property
ΔfG°	-34.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-878.02	kJ/mol	Relay (... Calculated Property
ΔfusH°	66.12	kJ/mol	Joback Calculated Property
ΔvapH°	124.85	kJ/mol	Relay (... Calculated Property
IE	9.50	eV	Relay (... Calculated Property
log10WS	-6.63		Relay (... Calculated Property
logPoct/wat	6.483		Crippen Calculated Property
McVol	363.710	ml/mol	McGowan Calculated Property
Pc	886.83	kPa	Joback Calculated Property
Inp	[3048.00; 3048.00]
Inp	3048.00		NIST
Inp	3048.00		NIST
Tboil	653.42	K	Relay (... Calculated Property
Tc	855.92	K	Relay (... Calculated Property
Tfus	332.35	K	Relay (... Calculated Property
Vc	1.376	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1222.29; 1320.99]	J/mol×K	[925.53; 1135.03]
Cp,gas	1222.29	J/mol×K	925.53	Joback Calculated Property
Cp,gas	1241.86	J/mol×K	960.45	Joback Calculated Property
Cp,gas	1260.10	J/mol×K	995.36	Joback Calculated Property
Cp,gas	1277.08	J/mol×K	1030.28	Joback Calculated Property
Cp,gas	1292.85	J/mol×K	1065.20	Joback Calculated Property
Cp,gas	1307.47	J/mol×K	1100.11	Joback Calculated Property
Cp,gas	1320.99	J/mol×K	1135.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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