Chemical Properties of 4-Ethyl-4-(p-toluenesulfonoxymethyl)-2-methyl-delta^2-oxazoline (CAS 116595-29-0)

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

297.37

CAS

116595-29-0

Other Names

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

• ω : Acentric Factor.
• 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).
• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[628.73; 721.09]	J/mol×K	[721.89; 949.00]
Cp,gas	628.73	J/mol×K	721.89	Joback Calculated Property
Cp,gas	646.44	J/mol×K	759.74	Joback Calculated Property
Cp,gas	663.10	J/mol×K	797.59	Joback Calculated Property
Cp,gas	678.80	J/mol×K	835.45	Joback Calculated Property
Cp,gas	693.64	J/mol×K	873.30	Joback Calculated Property
Cp,gas	707.70	J/mol×K	911.15	Joback Calculated Property
Cp,gas	721.09	J/mol×K	949.00	Joback Calculated Property

Similar Compounds

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

Sources

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

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