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

427.66

• 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	1.2454		Relay (1.0) Calculated Property
ΔfG°	-197.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-1127.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.10	kJ/mol	Joback Calculated Property
ΔvapH°	128.52	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	803.42	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	840.28	K	Relay (1.0) Calculated Property
Tfus	298.30	K	Relay (1.0) Calculated Property
Vc	1.510	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1326.02; 1429.57]	J/mol×K	[936.42; 1152.27]
Cp,gas	1326.02	J/mol×K	936.42	Joback Calculated Property
Cp,gas	1347.09	J/mol×K	972.40	Joback Calculated Property
Cp,gas	1366.56	J/mol×K	1008.37	Joback Calculated Property
Cp,gas	1384.49	J/mol×K	1044.35	Joback Calculated Property
Cp,gas	1400.93	J/mol×K	1080.32	Joback Calculated Property
Cp,gas	1415.94	J/mol×K	1116.30	Joback Calculated Property
Cp,gas	1429.57	J/mol×K	1152.27	Joback 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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