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

InChI

InChI=1S/C13H25NO4/c1-5-8-18-13(16)14(4)10-12(15)17-9-6-7-11(2)3/h11H,5-10H2,1-4H3

InChI Key

OROPMVJNLFNQTJ-UHFFFAOYSA-N

Formula

C13H25NO4

SMILES

CCCOC(=O)N(C)CC(=O)OCCCC(C)C

Molecular Weight¹

259.34

• 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).
• 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
ΔfG°	-300.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-739.00	kJ/mol	Joback Calculated Property
ΔfusH°	34.50	kJ/mol	Joback Calculated Property
ΔvapH°	64.50	kJ/mol	Joback Calculated Property
log10WS	-2.30		Crippen Calculated Property
logPoct/wat	2.444		Crippen Calculated Property
McVol	218.890	ml/mol	McGowan Calculated Property
Pc	1783.35	kPa	Joback Calculated Property
Inp	[1639.00; 1639.00]
Inp	1639.00		NIST
Inp	1639.00		NIST
Tboil	661.42	K	Joback Calculated Property
Tc	839.39	K	Joback Calculated Property
Tfus	398.06	K	Joback Calculated Property
Vc	0.824	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[608.15; 691.02]	J/mol×K	[661.42; 839.39]
Cp,gas	608.15	J/mol×K	661.42	Joback Calculated Property
Cp,gas	623.83	J/mol×K	691.08	Joback Calculated Property
Cp,gas	638.75	J/mol×K	720.74	Joback Calculated Property
Cp,gas	652.92	J/mol×K	750.41	Joback Calculated Property
Cp,gas	666.35	J/mol×K	780.07	Joback Calculated Property
Cp,gas	679.05	J/mol×K	809.73	Joback Calculated Property
Cp,gas	691.02	J/mol×K	839.39	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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