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

InChI

InChI=1S/C23H45NO4/c1-5-7-9-11-13-14-16-18-20-28-23(26)24(4)21(3)22(25)27-19-17-15-12-10-8-6-2/h21H,5-20H2,1-4H3

InChI Key

FVUUYXSQAXVHSX-UHFFFAOYSA-N

Formula

C23H45NO4

SMILES

CCCCCCCCCCOC(=O)N(C)C(C)C(=O)OCCCCCCCC

Molecular Weight¹

399.61

• 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	1.1224		Relay (1.0) Calculated Property
ΔfG°	-216.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-1097.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.40	kJ/mol	Joback Calculated Property
ΔvapH°	114.43	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-5.78		Relay (1.0) Calculated Property
logPoct/wat	6.488		Crippen Calculated Property
McVol	359.790	ml/mol	McGowan Calculated Property
Pc	902.89	kPa	Joback Calculated Property
Inp	[2575.00; 2575.00]
Inp	2575.00		NIST
Inp	2575.00		NIST
Tboil	628.10	K	Relay (1.0) Calculated Property
Tc	819.89	K	Relay (1.0) Calculated Property
Tfus	297.07	K	Relay (1.0) Calculated Property
Vc	1.379	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1199.33; 1298.73]	J/mol×K	[890.22; 1090.37]
Cp,gas	1199.33	J/mol×K	890.22	Joback Calculated Property
Cp,gas	1219.15	J/mol×K	923.58	Joback Calculated Property
Cp,gas	1237.62	J/mol×K	956.94	Joback Calculated Property
Cp,gas	1254.78	J/mol×K	990.30	Joback Calculated Property
Cp,gas	1270.65	J/mol×K	1023.65	Joback Calculated Property
Cp,gas	1285.29	J/mol×K	1057.01	Joback Calculated Property
Cp,gas	1298.73	J/mol×K	1090.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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