Chemical Properties of Glutril (CAS 26944-48-9)

InChI

InChI=1S/C18H26N2O4S/c1-11-5-7-12(8-6-11)25(23,24)20-16(22)19-14-13-9-10-18(4,15(14)21)17(13,2)3/h5-8,13-15,21H,9-10H2,1-4H3,(H2,19,20,22)

InChI Key

RMTYNAPTNBJHQI-UHFFFAOYSA-N

Formula

C18H26N2O4S

SMILES

Cc1ccc(S(=O)(=O)NC(=O)NC2C3CCC(C)(C2O)C3(C)C)cc1

Molecular Weight¹

366.48

CAS

26944-48-9

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• 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 formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[371.59; 972.99]	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			-1.77380e+02
Coefficient B			2.56397e+00
Coefficient C			-2.25586e-03
Coefficient D			8.42260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	371.59	J/mol×K	273.00	Calculated Property
Cp,gas	484.65	J/mol×K	353.78	Calculated Property
Cp,gas	579.93	J/mol×K	434.56	Calculated Property
Cp,gas	660.10	J/mol×K	515.33	Calculated Property
Cp,gas	727.83	J/mol×K	596.11	Calculated Property
Cp,gas	785.77	J/mol×K	676.89	Calculated Property
Cp,gas	836.60	J/mol×K	757.67	Calculated Property
Cp,gas	882.96	J/mol×K	838.44	Calculated Property
Cp,gas	927.54	J/mol×K	919.22	Calculated Property
Cp,gas	972.99	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutril.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Joback Method
• McGowan Method

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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