Chemical Properties of Glycine, N-methyl-N-butoxycarbonyl-, pentyl ester

InChI

InChI=1S/C13H25NO4/c1-4-6-8-10-17-12(15)11-14(3)13(16)18-9-7-5-2/h4-11H2,1-3H3

InChI Key

YLTXWCDIDPJYQF-UHFFFAOYSA-N

Formula

C13H25NO4

SMILES

CCCCCOC(=O)CN(C)C(=O)OCCCC

Molecular Weight¹

259.35

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.8207		Relay (1.0) Calculated Property
ΔfH°gas	-888.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.02	kJ/mol	Joback Calculated Property
ΔvapH°	82.34	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-2.53		Relay (1.0) Calculated Property
logPoct/wat	2.588		Crippen Calculated Property
McVol	218.890	ml/mol	McGowan Calculated Property
Pc	1771.36	kPa	Joback Calculated Property
Inp	[1673.00; 1673.00]
Inp	1673.00		NIST
Inp	1673.00		NIST
Tboil	565.26	K	Relay (1.0) Calculated Property
Tc	740.00	K	Relay (1.0) Calculated Property
Tfus	240.65	K	Relay (1.0) Calculated Property
Vc	0.846	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[607.70; 689.49]	J/mol×K	[661.86; 837.37]
Cp,gas	607.70	J/mol×K	661.86	Joback Calculated Property
Cp,gas	623.13	J/mol×K	691.11	Joback Calculated Property
Cp,gas	637.83	J/mol×K	720.36	Joback Calculated Property
Cp,gas	651.80	J/mol×K	749.62	Joback Calculated Property
Cp,gas	665.07	J/mol×K	778.87	Joback Calculated Property
Cp,gas	677.63	J/mol×K	808.12	Joback Calculated Property
Cp,gas	689.49	J/mol×K	837.37	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.