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

InChI

InChI=1S/C24H47NO4/c1-5-7-9-11-12-13-14-15-16-17-19-20-28-23(26)22(3)25(4)24(27)29-21-18-10-8-6-2/h22H,5-21H2,1-4H3

InChI Key

OLOWLWGQMCLWPR-UHFFFAOYSA-N

Formula

C24H47NO4

SMILES

CCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCCC

Molecular Weight¹

413.63

• 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	1.1575		Relay (1.0) Calculated Property
ΔfG°	-208.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-1117.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.99	kJ/mol	Joback Calculated Property
ΔvapH°	118.41	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-6.09		Relay (1.0) Calculated Property
logPoct/wat	6.878		Crippen Calculated Property
McVol	373.880	ml/mol	McGowan Calculated Property
Pc	852.97	kPa	Joback Calculated Property
Inp	[2680.00; 2680.00]
Inp	2680.00		NIST
Inp	2680.00		NIST
Tboil	634.52	K	Relay (1.0) Calculated Property
Tc	827.00	K	Relay (1.0) Calculated Property
Tfus	300.03	K	Relay (1.0) Calculated Property
Vc	1.434	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1262.61; 1363.62]	J/mol×K	[913.10; 1119.88]
Cp,gas	1262.61	J/mol×K	913.10	Joback Calculated Property
Cp,gas	1282.96	J/mol×K	947.56	Joback Calculated Property
Cp,gas	1301.84	J/mol×K	982.03	Joback Calculated Property
Cp,gas	1319.30	J/mol×K	1016.49	Joback Calculated Property
Cp,gas	1335.39	J/mol×K	1050.95	Joback Calculated Property
Cp,gas	1350.15	J/mol×K	1085.42	Joback Calculated Property
Cp,gas	1363.62	J/mol×K	1119.88	Joback Calculated Property

Similar Compounds

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

Sources

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

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