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

InChI

InChI=1S/C29H57NO4/c1-5-7-9-11-13-15-16-17-18-20-21-23-25-33-28(31)27(3)30(4)29(32)34-26-24-22-19-14-12-10-8-6-2/h27H,5-26H2,1-4H3

InChI Key

GNXVJNDMGVFWLM-UHFFFAOYSA-N

Formula

C29H57NO4

SMILES

CCCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCCCCCCC

Molecular Weight¹

483.77

• 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°	-166.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-1069.24	kJ/mol	Joback Calculated Property
ΔfusH°	75.94	kJ/mol	Joback Calculated Property
ΔvapH°	100.12	kJ/mol	Joback Calculated Property
log10WS	-9.35		Crippen Calculated Property
logPoct/wat	8.828		Crippen Calculated Property
McVol	444.330	ml/mol	McGowan Calculated Property
Pc	656.12	kPa	Joback Calculated Property
Inp	[3150.00; 3150.00]
Inp	3150.00		NIST
Inp	3150.00		NIST
Tboil	1027.50	K	Joback Calculated Property
Tc	1285.62	K	Joback Calculated Property
Tfus	578.38	K	Joback Calculated Property
Vc	1.720	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1585.48; 1694.92]	J/mol×K	[1027.50; 1285.62]
Cp,gas	1585.48	J/mol×K	1027.50	Joback Calculated Property
Cp,gas	1609.16	J/mol×K	1070.52	Joback Calculated Property
Cp,gas	1630.51	J/mol×K	1113.54	Joback Calculated Property
Cp,gas	1649.64	J/mol×K	1156.56	Joback Calculated Property
Cp,gas	1666.68	J/mol×K	1199.58	Joback Calculated Property
Cp,gas	1681.73	J/mol×K	1242.60	Joback Calculated Property
Cp,gas	1694.92	J/mol×K	1285.62	Joback Calculated Property

Similar Compounds

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

Sources

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

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