Chemical Properties of DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, heptadecyl ester

InChI

InChI=1S/C26H49NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-30-25(28)24(3)27(4)26(29)31-22-8-6-2/h6,24H,2,5,7-23H2,1,3-4H3

InChI Key

ZLBRHHFDVFROEI-UHFFFAOYSA-N

Formula

C26H49NO4

SMILES

C=CCCOC(=O)N(C)C(C)C(=O)OCCCCCCCCCCCCCCCCC

Molecular Weight¹

439.67

• 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°	-103.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-881.89	kJ/mol	Joback Calculated Property
ΔfusH°	66.89	kJ/mol	Joback Calculated Property
ΔvapH°	92.77	kJ/mol	Joback Calculated Property
log10WS	-7.94		Crippen Calculated Property
logPoct/wat	7.434		Crippen Calculated Property
McVol	397.760	ml/mol	McGowan Calculated Property
Pc	782.87	kPa	Joback Calculated Property
Inp	[2882.00; 2882.00]
Inp	2882.00		NIST
Inp	2882.00		NIST
Tboil	955.54	K	Joback Calculated Property
Tc	1176.33	K	Joback Calculated Property
Tfus	542.81	K	Joback Calculated Property
Vc	1.532	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1360.76; 1463.01]	J/mol×K	[955.54; 1176.33]
Cp,gas	1360.76	J/mol×K	955.54	Joback Calculated Property
Cp,gas	1381.65	J/mol×K	992.34	Joback Calculated Property
Cp,gas	1400.90	J/mol×K	1029.14	Joback Calculated Property
Cp,gas	1418.60	J/mol×K	1065.94	Joback Calculated Property
Cp,gas	1434.81	J/mol×K	1102.74	Joback Calculated Property
Cp,gas	1449.58	J/mol×K	1139.53	Joback Calculated Property
Cp,gas	1463.01	J/mol×K	1176.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, heptadecyl ester.

Sources

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

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