Chemical Properties of DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl ester

InChI

InChI=1S/C21H41NO4/c1-7-11-13-18(9-3)15-25-20(23)17(5)22(6)21(24)26-16-19(10-4)14-12-8-2/h17-19H,7-16H2,1-6H3

InChI Key

UMRRJBKAQLMSSH-UHFFFAOYSA-N

Formula

C21H41NO4

SMILES

CCCCC(CC)COC(=O)C(C)N(C)C(=O)OCC(CC)CCCC

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°	-238.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-914.68	kJ/mol	Joback Calculated Property
ΔfusH°	48.17	kJ/mol	Joback Calculated Property
ΔvapH°	81.53	kJ/mol	Joback Calculated Property
log10WS	-5.51		Crippen Calculated Property
logPoct/wat	5.419		Crippen Calculated Property
McVol	331.610	ml/mol	McGowan Calculated Property
Pc	1027.28	kPa	Joback Calculated Property
Inp	[2243.00; 2243.00]
Inp	2243.00		NIST
Inp	2243.00		NIST
Tboil	843.58	K	Joback Calculated Property
Tc	1034.17	K	Joback Calculated Property
Tfus	458.22	K	Joback Calculated Property
Vc	1.260	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1075.42; 1171.70]	J/mol×K	[843.58; 1034.17]
Cp,gas	1075.42	J/mol×K	843.58	Joback Calculated Property
Cp,gas	1094.38	J/mol×K	875.35	Joback Calculated Property
Cp,gas	1112.13	J/mol×K	907.11	Joback Calculated Property
Cp,gas	1128.71	J/mol×K	938.88	Joback Calculated Property
Cp,gas	1144.15	J/mol×K	970.64	Joback Calculated Property
Cp,gas	1158.47	J/mol×K	1002.41	Joback Calculated Property
Cp,gas	1171.70	J/mol×K	1034.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl ester.

Sources

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

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