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

InChI

InChI=1S/C16H29NO4/c1-3-5-6-7-8-9-10-14-20-15(18)11-12-17-16(19)21-13-4-2/h4H,2-3,5-14H2,1H3,(H,17,19)

InChI Key

RJBPUMPULHGYBT-UHFFFAOYSA-N

Formula

C16H29NO4

SMILES

C=CCOC(=O)NCCC(=O)OCCCCCCCCC

Molecular Weight¹

299.41

• 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).
• 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
ΔfG°	-206.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-684.27	kJ/mol	Joback Calculated Property
ΔfusH°	46.59	kJ/mol	Joback Calculated Property
ΔvapH°	75.29	kJ/mol	Joback Calculated Property
log10WS	-4.27		Crippen Calculated Property
logPoct/wat	3.583		Crippen Calculated Property
McVol	256.860	ml/mol	McGowan Calculated Property
Pc	1471.36	kPa	Joback Calculated Property
Inp	[2157.00; 2157.00]
Inp	2157.00		NIST
Inp	2157.00		NIST
Tboil	764.91	K	Joback Calculated Property
Tc	947.42	K	Joback Calculated Property
Tfus	465.30	K	Joback Calculated Property
Vc	0.996	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[769.06; 850.28]	J/mol×K	[764.91; 947.42]
Cp,gas	769.06	J/mol×K	764.91	Joback Calculated Property
Cp,gas	784.72	J/mol×K	795.33	Joback Calculated Property
Cp,gas	799.52	J/mol×K	825.75	Joback Calculated Property
Cp,gas	813.46	J/mol×K	856.17	Joback Calculated Property
Cp,gas	826.56	J/mol×K	886.59	Joback Calculated Property
Cp,gas	838.83	J/mol×K	917.00	Joback Calculated Property
Cp,gas	850.28	J/mol×K	947.42	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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