Chemical Properties of DL-Alanine, N-methyl-N-decyloxycarbonyl-, hexadecyl ester

InChI

InChI=1S/C31H61NO4/c1-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-35-30(33)29(3)32(4)31(34)36-28-26-24-21-14-12-10-8-6-2/h29H,5-28H2,1-4H3

InChI Key

XZOHMLYDERJNAH-UHFFFAOYSA-N

Formula

C31H61NO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCCCCCCC

Molecular Weight¹

511.82

• 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°	-149.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-1110.52	kJ/mol	Joback Calculated Property
ΔfusH°	81.12	kJ/mol	Joback Calculated Property
ΔvapH°	104.57	kJ/mol	Joback Calculated Property
log10WS	-10.18		Crippen Calculated Property
logPoct/wat	9.608		Crippen Calculated Property
McVol	472.510	ml/mol	McGowan Calculated Property
Pc	596.05	kPa	Joback Calculated Property
Inp	[3357.00; 3357.00]
Inp	3357.00		NIST
Inp	3357.00		NIST
Tboil	1073.26	K	Joback Calculated Property
Tc	1362.40	K	Joback Calculated Property
Tfus	600.92	K	Joback Calculated Property
Vc	1.831	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1716.79; 1829.47]	J/mol×K	[1073.26; 1362.40]
Cp,gas	1716.79	J/mol×K	1073.26	Joback Calculated Property
Cp,gas	1742.18	J/mol×K	1121.45	Joback Calculated Property
Cp,gas	1764.69	J/mol×K	1169.64	Joback Calculated Property
Cp,gas	1784.49	J/mol×K	1217.83	Joback Calculated Property
Cp,gas	1801.77	J/mol×K	1266.02	Joback Calculated Property
Cp,gas	1816.70	J/mol×K	1314.21	Joback Calculated Property
Cp,gas	1829.47	J/mol×K	1362.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-decyloxycarbonyl-, hexadecyl ester.

Sources

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

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