Chemical Properties of «beta»-Alanine, N-allyloxycarbonyl-, undecyl ester

InChI

InChI=1S/C18H33NO4/c1-3-5-6-7-8-9-10-11-12-16-22-17(20)13-14-19-18(21)23-15-4-2/h4H,2-3,5-16H2,1H3,(H,19,21)

InChI Key

PGGHNNHJJKVVET-UHFFFAOYSA-N

Formula

C18H33NO4

SMILES

C=CCOC(=O)NCCC(=O)OCCCCCCCCCCC

Molecular Weight¹

327.46

• 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	1.0028		Relay (1.0) Calculated Property
ΔfG°	-189.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-917.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.77	kJ/mol	Joback Calculated Property
ΔvapH°	104.27	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-4.59		Relay (1.0) Calculated Property
logPoct/wat	4.363		Crippen Calculated Property
McVol	285.040	ml/mol	McGowan Calculated Property
Pc	1276.42	kPa	Joback Calculated Property
Inp	[2365.00; 2365.00]
Inp	2365.00		NIST
Inp	2365.00		NIST
Tboil	631.87	K	Relay (1.0) Calculated Property
Tc	810.10	K	Relay (1.0) Calculated Property
Tfus	281.96	K	Relay (1.0) Calculated Property
Vc	1.057	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[885.68; 970.22]	J/mol×K	[810.67; 996.79]
Cp,gas	885.68	J/mol×K	810.67	Joback Calculated Property
Cp,gas	902.15	J/mol×K	841.69	Joback Calculated Property
Cp,gas	917.64	J/mol×K	872.71	Joback Calculated Property
Cp,gas	932.17	J/mol×K	903.73	Joback Calculated Property
Cp,gas	945.77	J/mol×K	934.75	Joback Calculated Property
Cp,gas	958.44	J/mol×K	965.77	Joback Calculated Property
Cp,gas	970.22	J/mol×K	996.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-allyloxycarbonyl-, undecyl ester.

Sources

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

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