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

InChI

InChI=1S/C22H35NO5/c1-4-5-6-7-8-12-15-27-21(24)19(2)23(3)22(25)28-17-16-26-18-20-13-10-9-11-14-20/h9-11,13-14,19H,4-8,12,15-18H2,1-3H3

InChI Key

UZVZALCXDBSKSZ-UHFFFAOYSA-N

Formula

C22H35NO5

SMILES

CCCCCCCCOC(=O)C(C)N(C)C(=O)OCCOCc1ccccc1

Molecular Weight¹

393.52

• 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°	-217.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-820.45	kJ/mol	Joback Calculated Property
ΔfusH°	53.04	kJ/mol	Joback Calculated Property
ΔvapH°	89.22	kJ/mol	Joback Calculated Property
log10WS	-5.10		Crippen Calculated Property
logPoct/wat	4.564		Crippen Calculated Property
McVol	327.810	ml/mol	McGowan Calculated Property
Pc	1174.44	kPa	Joback Calculated Property
Inp	[2690.00; 2690.00]
Inp	2690.00		NIST
Inp	2690.00		NIST
Tboil	916.44	K	Joback Calculated Property
Tc	1123.78	K	Joback Calculated Property
Tfus	548.14	K	Joback Calculated Property
Vc	1.238	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1071.22; 1148.07]	J/mol×K	[916.44; 1123.78]
Cp,gas	1071.22	J/mol×K	916.44	Joback Calculated Property
Cp,gas	1087.37	J/mol×K	951.00	Joback Calculated Property
Cp,gas	1102.14	J/mol×K	985.55	Joback Calculated Property
Cp,gas	1115.56	J/mol×K	1020.11	Joback Calculated Property
Cp,gas	1127.67	J/mol×K	1054.67	Joback Calculated Property
Cp,gas	1138.49	J/mol×K	1089.23	Joback Calculated Property
Cp,gas	1148.07	J/mol×K	1123.78	Joback Calculated Property

Similar Compounds

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

Sources

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

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