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

InChI

InChI=1S/C21H41NO4/c1-5-7-9-11-12-13-14-16-18-26-21(24)22(4)19(3)20(23)25-17-15-10-8-6-2/h19H,5-18H2,1-4H3

InChI Key

SIRJVQUGTYMFNU-UHFFFAOYSA-N

Formula

C21H41NO4

SMILES

CCCCCCCCCCOC(=O)N(C)C(C)C(=O)OCCCCCC

Molecular Weight¹

371.55

• 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°	-233.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-904.12	kJ/mol	Joback Calculated Property
ΔfusH°	55.22	kJ/mol	Joback Calculated Property
ΔvapH°	82.31	kJ/mol	Joback Calculated Property
log10WS	-6.00		Crippen Calculated Property
logPoct/wat	5.708		Crippen Calculated Property
McVol	331.610	ml/mol	McGowan Calculated Property
Pc	1016.83	kPa	Joback Calculated Property
Inp	[2391.00; 2391.00]
Inp	2391.00		NIST
Inp	2391.00		NIST
Tboil	844.46	K	Joback Calculated Property
Tc	1034.29	K	Joback Calculated Property
Tfus	488.22	K	Joback Calculated Property
Vc	1.272	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1074.49; 1170.82]	J/mol×K	[844.46; 1034.29]
Cp,gas	1074.49	J/mol×K	844.46	Joback Calculated Property
Cp,gas	1093.39	J/mol×K	876.10	Joback Calculated Property
Cp,gas	1111.11	J/mol×K	907.74	Joback Calculated Property
Cp,gas	1127.68	J/mol×K	939.38	Joback Calculated Property
Cp,gas	1143.14	J/mol×K	971.02	Joback Calculated Property
Cp,gas	1157.51	J/mol×K	1002.66	Joback Calculated Property
Cp,gas	1170.82	J/mol×K	1034.29	Joback Calculated Property

Similar Compounds

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

Sources

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

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