Chemical Properties of Hexaglycine

InChI

InChI=1S/C12H20N6O7/c13-1-7(19)14-2-8(20)15-3-9(21)16-4-10(22)17-5-11(23)18-6-12(24)25/h1-6,13H2,(H,14,19)(H,15,20)(H,16,21)(H,17,22)(H,18,23)(H,24,25)

InChI Key

XJFPXLWGZWAWRQ-UHFFFAOYSA-N

Formula

C12H20N6O7

SMILES

NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O

Molecular Weight¹

360.33

Other Names

• (glycine)6
• glycine, N-[N-[N-[N-(N-glycylglycyl)glycyl]glycyl]glycyl]-

• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[379.59; 814.72]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.38160e+01
Coefficient B			1.49750e+00
Coefficient C			-8.94500e-04
Coefficient D			1.77900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	379.59	J/mol×K	273.00	Calculated Property
Cp,gas	459.52	J/mol×K	353.78	Calculated Property
Cp,gas	530.25	J/mol×K	434.56	Calculated Property
Cp,gas	592.32	J/mol×K	515.33	Calculated Property
Cp,gas	646.32	J/mol×K	596.11	Calculated Property
Cp,gas	692.79	J/mol×K	676.89	Calculated Property
Cp,gas	732.30	J/mol×K	757.67	Calculated Property
Cp,gas	765.42	J/mol×K	838.44	Calculated Property
Cp,gas	792.70	J/mol×K	919.22	Calculated Property
Cp,gas	814.72	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Hexaglycine.

Mixtures

• Water + Hexaglycine
• Ethanol + Water + Hexaglycine

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Solubilities of Glycine and Its Oligopeptides in Aqueous Solutions
• 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.
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