- 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)CO
C(C)=N1 - Molecular Weight1
- 297.37
- CAS
- 116595-29-0
- Other Names
-
- 4-Ethyl-4-(p-toluenesulfonoxymethyl)-2-methyl-delta
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -321.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -631.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.52 | kJ/mol | Joback Calculated Property |
| log10WS | -2.98 | Crippen Calculated Property | |
| logPoct/wat | 2.298 | Crippen Calculated Property | |
| McVol | 219.010 | ml/mol | McGowan Calculated Property |
| Pc | 2859.68 | kPa | Joback Calculated Property |
| Tboil | 721.89 | K | Joback Calculated Property |
| Tc | 949.00 | K | Joback Calculated Property |
| Tfus | 493.46 | K | Joback Calculated Property |
| Vc | 0.851 | m3/kmol | Joback Calculated Property |
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
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