Chemical Properties of 4-Ethyl-4-(p-toluenesulfonoxymethyl)-2-methyl-delta^2-oxazoline

InChI

InChI=1S/C14H19NO4S/c1-4-14(9-18-12(3)15-14)10-19-20(16,17)13-7-5-11(2)6-8-13/h5-8H,4,9-10H2,1-3H3

InChI Key

MIMPOGKFEUESDC-UHFFFAOYSA-N

Formula

C14H19NO4S

SMILES

CCC1(COS(=O)(=O)c2ccc(C)cc2)COC(C)=N1

Molecular Weight¹

297.38

Other Names

• 4-Ethyl-4-(p-toluenesulfonoxymethyl)-2-methyl-delta

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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, Log10 of Water solubility in mol/l 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	[305.90; 738.21]	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			-3.48580e+01
Coefficient B			1.50443e+00
Coefficient C			-1.01646e-03
Coefficient D			2.85100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	305.90	J/mol×K	273.00	Calculated Property
Cp,gas	382.78	J/mol×K	353.78	Calculated Property
Cp,gas	450.35	J/mol×K	434.56	Calculated Property
Cp,gas	509.50	J/mol×K	515.33	Calculated Property
Cp,gas	561.14	J/mol×K	596.11	Calculated Property
Cp,gas	606.17	J/mol×K	676.89	Calculated Property
Cp,gas	645.49	J/mol×K	757.67	Calculated Property
Cp,gas	680.01	J/mol×K	838.44	Calculated Property
Cp,gas	710.61	J/mol×K	919.22	Calculated Property
Cp,gas	738.21	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Ethyl-4-(p-toluenesulfonoxymethyl)-2-methyl-delta^2-oxazoline.

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
• 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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