Chemical Properties of «beta»-Alanine, N-capryloyl-, pentyl ester

InChI

InChI=1S/C16H31NO3/c1-3-5-7-8-9-11-15(18)17-13-12-16(19)20-14-10-6-4-2/h3-14H2,1-2H3,(H,17,18)

InChI Key

FMDPVMVYCPEONN-UHFFFAOYSA-N

Formula

C16H31NO3

SMILES

CCCCCCCC(=O)NCCC(=O)OCCCCC

Molecular Weight¹

285.42

• 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°	-189.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-677.48	kJ/mol	Joback Calculated Property
ΔfusH°	46.68	kJ/mol	Joback Calculated Property
ΔvapH°	73.55	kJ/mol	Joback Calculated Property
log10WS	-4.35		Crippen Calculated Property
logPoct/wat	3.587		Crippen Calculated Property
McVol	255.290	ml/mol	McGowan Calculated Property
Pc	1443.54	kPa	Joback Calculated Property
Inp	[2175.00; 2175.00]
Inp	2175.00		NIST
Inp	2175.00		NIST
Tboil	745.81	K	Joback Calculated Property
Tc	925.62	K	Joback Calculated Property
Tfus	444.83	K	Joback Calculated Property
Vc	0.997	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[764.84; 850.85]	J/mol×K	[745.81; 925.62]
Cp,gas	764.84	J/mol×K	745.81	Joback Calculated Property
Cp,gas	781.25	J/mol×K	775.78	Joback Calculated Property
Cp,gas	796.80	J/mol×K	805.75	Joback Calculated Property
Cp,gas	811.52	J/mol×K	835.72	Joback Calculated Property
Cp,gas	825.42	J/mol×K	865.68	Joback Calculated Property
Cp,gas	838.53	J/mol×K	895.65	Joback Calculated Property
Cp,gas	850.85	J/mol×K	925.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-capryloyl-, pentyl ester.

Sources

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

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