Chemical Properties of DL-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, nonyl ester

InChI

InChI=1S/C23H37NO5/c1-4-5-6-7-8-9-13-16-28-22(25)20(2)24(3)23(26)29-18-17-27-19-21-14-11-10-12-15-21/h10-12,14-15,20H,4-9,13,16-19H2,1-3H3

InChI Key

CAPJXHJKIHGXOQ-UHFFFAOYSA-N

Formula

C23H37NO5

SMILES

CCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCOCc1ccccc1

Molecular Weight¹

407.54

• 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°	-209.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-841.09	kJ/mol	Joback Calculated Property
ΔfusH°	55.63	kJ/mol	Joback Calculated Property
ΔvapH°	91.44	kJ/mol	Joback Calculated Property
log10WS	-5.52		Crippen Calculated Property
logPoct/wat	4.954		Crippen Calculated Property
McVol	341.900	ml/mol	McGowan Calculated Property
Pc	1100.81	kPa	Joback Calculated Property
Inp	[2783.00; 2783.00]
Inp	2783.00		NIST
Inp	2783.00		NIST
Tboil	939.32	K	Joback Calculated Property
Tc	1150.41	K	Joback Calculated Property
Tfus	559.41	K	Joback Calculated Property
Vc	1.294	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1132.26; 1209.12]	J/mol×K	[939.32; 1150.41]
Cp,gas	1132.26	J/mol×K	939.32	Joback Calculated Property
Cp,gas	1148.58	J/mol×K	974.50	Joback Calculated Property
Cp,gas	1163.45	J/mol×K	1009.68	Joback Calculated Property
Cp,gas	1176.90	J/mol×K	1044.87	Joback Calculated Property
Cp,gas	1188.97	J/mol×K	1080.05	Joback Calculated Property
Cp,gas	1199.70	J/mol×K	1115.23	Joback Calculated Property
Cp,gas	1209.12	J/mol×K	1150.41	Joback Calculated Property

Similar Compounds

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

Sources

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

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