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

InChI

InChI=1S/C16H31NO4/c1-4-6-8-9-10-11-13-20-15(18)14-17(3)16(19)21-12-7-5-2/h4-14H2,1-3H3

InChI Key

QRWSNJSEWYCSGR-UHFFFAOYSA-N

Formula

C16H31NO4

SMILES

CCCCCCCCOC(=O)CN(C)C(=O)OCCCC

Molecular Weight¹

301.42

• 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	0.9280		Relay (1.0) Calculated Property
ΔfG°	-273.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-944.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.79	kJ/mol	Joback Calculated Property
ΔvapH°	92.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-3.73		Relay (1.0) Calculated Property
logPoct/wat	3.759		Crippen Calculated Property
McVol	261.160	ml/mol	McGowan Calculated Property
Pc	1409.07	kPa	Joback Calculated Property
Inp	[1921.00; 1921.00]
Inp	1921.00		NIST
Inp	1921.00		NIST
Tboil	590.21	K	Relay (1.0) Calculated Property
Tc	770.50	K	Relay (1.0) Calculated Property
Tfus	256.09	K	Relay (1.0) Calculated Property
Vc	1.011	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[775.04; 863.01]	J/mol×K	[730.50; 906.76]
Cp,gas	775.04	J/mol×K	730.50	Joback Calculated Property
Cp,gas	791.81	J/mol×K	759.88	Joback Calculated Property
Cp,gas	807.71	J/mol×K	789.25	Joback Calculated Property
Cp,gas	822.77	J/mol×K	818.63	Joback Calculated Property
Cp,gas	836.99	J/mol×K	848.01	Joback Calculated Property
Cp,gas	850.41	J/mol×K	877.39	Joback Calculated Property
Cp,gas	863.01	J/mol×K	906.76	Joback Calculated Property

Similar Compounds

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

Sources

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

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