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

InChI

InChI=1S/C15H29NO4/c1-4-6-7-8-9-10-12-19-14(17)13-16(3)15(18)20-11-5-2/h4-13H2,1-3H3

InChI Key

MJLUKNSZZKAGIN-UHFFFAOYSA-N

Formula

C15H29NO4

SMILES

CCCCCCCCOC(=O)CN(C)C(=O)OCCC

Molecular Weight¹

287.40

• 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	0.8937		Relay (1.0) Calculated Property
ΔfG°	-281.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-923.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.20	kJ/mol	Joback Calculated Property
ΔvapH°	87.38	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-3.42		Relay (1.0) Calculated Property
logPoct/wat	3.368		Crippen Calculated Property
McVol	247.070	ml/mol	McGowan Calculated Property
Pc	1516.39	kPa	Joback Calculated Property
Inp	[1841.00; 1841.00]
Inp	1841.00		NIST
Inp	1841.00		NIST
Tboil	584.96	K	Relay (1.0) Calculated Property
Tc	759.03	K	Relay (1.0) Calculated Property
Tfus	256.48	K	Relay (1.0) Calculated Property
Vc	0.955	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[718.10; 804.18]	J/mol×K	[707.62; 883.14]
Cp,gas	718.10	J/mol×K	707.62	Joback Calculated Property
Cp,gas	734.44	J/mol×K	736.87	Joback Calculated Property
Cp,gas	749.97	J/mol×K	766.13	Joback Calculated Property
Cp,gas	764.69	J/mol×K	795.38	Joback Calculated Property
Cp,gas	778.63	J/mol×K	824.63	Joback Calculated Property
Cp,gas	791.79	J/mol×K	853.89	Joback Calculated Property
Cp,gas	804.18	J/mol×K	883.14	Joback Calculated Property

Similar Compounds

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

Sources

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

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