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

InChI

InChI=1S/C27H53NO4/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-22-23-31-26(29)25(3)28(4)27(30)32-24-21-10-8-6-2/h25H,5-24H2,1-4H3

InChI Key

JSBOFJBERUMZFT-UHFFFAOYSA-N

Formula

C27H53NO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCCC

Molecular Weight¹

455.71

• 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	1.2629		Relay (1.0) Calculated Property
ΔfG°	-183.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-1177.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	70.76	kJ/mol	Joback Calculated Property
ΔvapH°	130.12	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-7.05		Relay (1.0) Calculated Property
logPoct/wat	8.048		Crippen Calculated Property
McVol	416.150	ml/mol	McGowan Calculated Property
Pc	725.75	kPa	Joback Calculated Property
Inp	[2962.00; 2962.00]
Inp	2962.00		NIST
Inp	2962.00		NIST
Tboil	654.17	K	Relay (1.0) Calculated Property
Tc	847.05	K	Relay (1.0) Calculated Property
Tfus	309.29	K	Relay (1.0) Calculated Property
Vc	1.600	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1455.24; 1561.28]	J/mol×K	[981.74; 1215.30]
Cp,gas	1455.24	J/mol×K	981.74	Joback Calculated Property
Cp,gas	1477.43	J/mol×K	1020.67	Joback Calculated Property
Cp,gas	1497.70	J/mol×K	1059.59	Joback Calculated Property
Cp,gas	1516.15	J/mol×K	1098.52	Joback Calculated Property
Cp,gas	1532.85	J/mol×K	1137.44	Joback Calculated Property
Cp,gas	1547.86	J/mol×K	1176.37	Joback Calculated Property
Cp,gas	1561.28	J/mol×K	1215.30	Joback Calculated Property

Similar Compounds

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

Sources

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

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