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

InChI

InChI=1S/C26H51NO4/c1-5-7-9-11-13-15-17-18-20-22-30-25(28)24(3)27(4)26(29)31-23-21-19-16-14-12-10-8-6-2/h24H,5-23H2,1-4H3

InChI Key

ZNDVEBVFUKVAOK-UHFFFAOYSA-N

Formula

C26H51NO4

SMILES

CCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCCCCCCC

Molecular Weight¹

441.69

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.2277		Relay (1.0) Calculated Property
ΔfG°	-191.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-1157.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.17	kJ/mol	Joback Calculated Property
ΔvapH°	126.17	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-6.74		Relay (1.0) Calculated Property
logPoct/wat	7.658		Crippen Calculated Property
McVol	402.060	ml/mol	McGowan Calculated Property
Pc	764.79	kPa	Joback Calculated Property
Inp	[2849.00; 2849.00]
Inp	2849.00		NIST
Inp	2849.00		NIST
Tboil	647.87	K	Relay (1.0) Calculated Property
Tc	840.52	K	Relay (1.0) Calculated Property
Tfus	307.57	K	Relay (1.0) Calculated Property
Vc	1.545	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1390.62; 1494.96]	J/mol×K	[958.86; 1182.25]
Cp,gas	1390.62	J/mol×K	958.86	Joback Calculated Property
Cp,gas	1412.14	J/mol×K	996.09	Joback Calculated Property
Cp,gas	1431.93	J/mol×K	1033.32	Joback Calculated Property
Cp,gas	1450.04	J/mol×K	1070.56	Joback Calculated Property
Cp,gas	1466.53	J/mol×K	1107.79	Joback Calculated Property
Cp,gas	1481.49	J/mol×K	1145.02	Joback Calculated Property
Cp,gas	1494.96	J/mol×K	1182.25	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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