Chemical Properties of Glycine, N-methyl-n-butoxycarbonyl-, undecyl ester

InChI

InChI=1S/C19H37NO4/c1-4-6-8-9-10-11-12-13-14-16-23-18(21)17-20(3)19(22)24-15-7-5-2/h4-17H2,1-3H3

InChI Key

VPLMQHXAPXDZNC-UHFFFAOYSA-N

Formula

C19H37NO4

SMILES

CCCCCCCCCCCOC(=O)CN(C)C(=O)OCCCC

Molecular Weight¹

343.50

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	1.0344		Relay (1.0) Calculated Property
ΔfH°gas	-1005.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.73	kJ/mol	Joback Calculated Property
ΔvapH°	106.39	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-4.77		Relay (1.0) Calculated Property
logPoct/wat	4.929		Crippen Calculated Property
McVol	303.430	ml/mol	McGowan Calculated Property
Pc	1086.35	kPa	Joback Calculated Property
Inp	[2175.00; 2175.00]
Inp	2175.00		NIST
Inp	2175.00		NIST
Tboil	612.20	K	Relay (1.0) Calculated Property
Tc	800.29	K	Relay (1.0) Calculated Property
Tfus	270.23	K	Relay (1.0) Calculated Property
Vc	1.180	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[935.01; 1029.15]	J/mol×K	[763.20; 938.86]
Cp,gas	935.01	J/mol×K	763.20	Joback Calculated Property
Cp,gas	953.22	J/mol×K	792.48	Joback Calculated Property
Cp,gas	970.40	J/mol×K	821.75	Joback Calculated Property
Cp,gas	986.56	J/mol×K	851.03	Joback Calculated Property
Cp,gas	1001.72	J/mol×K	880.31	Joback Calculated Property
Cp,gas	1015.91	J/mol×K	909.58	Joback Calculated Property
Cp,gas	1029.15	J/mol×K	938.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, N-methyl-n-butoxycarbonyl-, undecyl ester.

Sources

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

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