Chemical Properties of Glycine, n-methyl-n-butoxycarbonyl-, heptadecyl ester

InChI

InChI=1S/C25H49NO4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-29-24(27)23-26(3)25(28)30-21-7-5-2/h4-23H2,1-3H3

InChI Key

GRIPBMCISFNBGA-UHFFFAOYSA-N

Formula

C25H49NO4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)OCCCC

Molecular Weight¹

427.67

• 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	1.2454		Relay (1.0) Calculated Property
ΔfH°gas	-1127.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.27	kJ/mol	Joback Calculated Property
ΔvapH°	130.07	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
log10WS	-6.61		Relay (1.0) Calculated Property
logPoct/wat	7.269		Crippen Calculated Property
McVol	387.970	ml/mol	McGowan Calculated Property
Pc	767.34	kPa	Joback Calculated Property
Inp	[2709.00; 2709.00]
Inp	2709.00		NIST
Inp	2709.00		NIST
Tboil	652.26	K	Relay (1.0) Calculated Property
Tc	843.69	K	Relay (1.0) Calculated Property
Tfus	292.92	K	Relay (1.0) Calculated Property
Vc	1.512	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[584.01; 1363.35]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.02900e+01
Coefficient B			2.39316e+00
Coefficient C			-1.25960e-03
Coefficient D			2.09500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	584.01	J/mol×K	273.00	Calculated Property
Cp,gas	718.56	J/mol×K	353.78	Calculated Property
Cp,gas	839.58	J/mol×K	434.56	Calculated Property
Cp,gas	947.73	J/mol×K	515.33	Calculated Property
Cp,gas	1043.66	J/mol×K	596.11	Calculated Property
Cp,gas	1128.05	J/mol×K	676.89	Calculated Property
Cp,gas	1201.54	J/mol×K	757.67	Calculated Property
Cp,gas	1264.82	J/mol×K	838.44	Calculated Property
Cp,gas	1318.53	J/mol×K	919.22	Calculated Property
Cp,gas	1363.35	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

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

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