Chemical Properties of «beta»-Alanine, N-caproyl-, pentadecyl ester

InChI

InChI=1S/C24H47NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-22-28-24(27)20-21-25-23(26)19-17-6-4-2/h3-22H2,1-2H3,(H,25,26)

InChI Key

SKUCVAYUGSXBBO-UHFFFAOYSA-N

Formula

C24H47NO3

SMILES

CCCCCCCCCCCCCCCOC(=O)CCNC(=O)CCCCC

Molecular Weight¹

397.63

• 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°	-122.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-842.60	kJ/mol	Joback Calculated Property
ΔfusH°	67.40	kJ/mol	Joback Calculated Property
ΔvapH°	91.36	kJ/mol	Joback Calculated Property
log10WS	-7.70		Crippen Calculated Property
logPoct/wat	6.707		Crippen Calculated Property
McVol	368.010	ml/mol	McGowan Calculated Property
Pc	865.05	kPa	Joback Calculated Property
Inp	[3095.00; 3095.00]
Inp	3095.00		NIST
Inp	3095.00		NIST
Tboil	928.85	K	Joback Calculated Property
Tc	1140.13	K	Joback Calculated Property
Tfus	534.99	K	Joback Calculated Property
Vc	1.444	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1251.61; 1352.67]	J/mol×K	[928.85; 1140.13]
Cp,gas	1251.61	J/mol×K	928.85	Joback Calculated Property
Cp,gas	1271.79	J/mol×K	964.06	Joback Calculated Property
Cp,gas	1290.57	J/mol×K	999.28	Joback Calculated Property
Cp,gas	1307.99	J/mol×K	1034.49	Joback Calculated Property
Cp,gas	1324.11	J/mol×K	1069.70	Joback Calculated Property
Cp,gas	1338.99	J/mol×K	1104.91	Joback Calculated Property
Cp,gas	1352.67	J/mol×K	1140.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-caproyl-, pentadecyl ester.

Sources

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

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