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

InChI

InChI=1S/C12H23NO4/c1-4-6-8-16-11(14)10-13(3)12(15)17-9-7-5-2/h4-10H2,1-3H3

InChI Key

PLZCWEIGOUYZAP-UHFFFAOYSA-N

Formula

C12H23NO4

SMILES

CCCCOC(=O)CN(C)C(=O)OCCCC

Molecular Weight¹

245.32

• 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	0.7853		Relay (1.0) Calculated Property
ΔfG°	-306.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-871.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.43	kJ/mol	Joback Calculated Property
ΔvapH°	79.97	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-2.12		Relay (1.0) Calculated Property
logPoct/wat	2.198		Crippen Calculated Property
McVol	204.800	ml/mol	McGowan Calculated Property
Pc	1923.67	kPa	Joback Calculated Property
Inp	[1594.00; 1594.00]
Inp	1594.00		NIST
Inp	1594.00		NIST
Tboil	556.27	K	Relay (1.0) Calculated Property
Tc	728.37	K	Relay (1.0) Calculated Property
Tfus	235.25	K	Relay (1.0) Calculated Property
Vc	0.794	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[554.43; 633.70]	J/mol×K	[638.98; 815.13]
Cp,gas	554.43	J/mol×K	638.98	Joback Calculated Property
Cp,gas	569.34	J/mol×K	668.34	Joback Calculated Property
Cp,gas	583.57	J/mol×K	697.70	Joback Calculated Property
Cp,gas	597.11	J/mol×K	727.05	Joback Calculated Property
Cp,gas	609.97	J/mol×K	756.41	Joback Calculated Property
Cp,gas	622.17	J/mol×K	785.77	Joback Calculated Property
Cp,gas	633.70	J/mol×K	815.13	Joback Calculated Property

Similar Compounds

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

Sources

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

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