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

InChI

InChI=1S/C12H23NO4/c1-5-6-7-16-12(15)13(4)8-11(14)17-9-10(2)3/h10H,5-9H2,1-4H3

InChI Key

SVMHROZNKGYSEX-UHFFFAOYSA-N

Formula

C12H23NO4

SMILES

CCCCOC(=O)N(C)CC(=O)OCC(C)C

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	0.7517		Relay (1.0) Calculated Property
ΔfG°	-309.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-882.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.91	kJ/mol	Joback Calculated Property
ΔvapH°	75.00	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
log10WS	-2.01		Relay (1.0) Calculated Property
logPoct/wat	2.054		Crippen Calculated Property
McVol	204.800	ml/mol	McGowan Calculated Property
Pc	1937.24	kPa	Joback Calculated Property
Inp	[1546.00; 1546.00]
Inp	1546.00		NIST
Inp	1546.00		NIST
Tboil	553.66	K	Relay (1.0) Calculated Property
Tc	718.20	K	Relay (1.0) Calculated Property
Tfus	239.50	K	Relay (1.0) Calculated Property
Vc	0.785	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[554.86; 635.31]	J/mol×K	[638.54; 817.39]
Cp,gas	554.86	J/mol×K	638.54	Joback Calculated Property
Cp,gas	570.04	J/mol×K	668.35	Joback Calculated Property
Cp,gas	584.50	J/mol×K	698.16	Joback Calculated Property
Cp,gas	598.26	J/mol×K	727.96	Joback Calculated Property
Cp,gas	611.30	J/mol×K	757.77	Joback Calculated Property
Cp,gas	623.65	J/mol×K	787.58	Joback Calculated Property
Cp,gas	635.31	J/mol×K	817.39	Joback Calculated Property

Similar Compounds

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

Sources

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

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