- InChI
- InChI=1S/C15H13NO4S/c1-10-6-8-11(9-7-10)21(18,19)16-14-12-4-2-3-5-13(12)15(17)20-14/h2-9,14,16H,1H3
- InChI Key
- HRDCLCAHDMYEJB-UHFFFAOYSA-N
- Formula
- C15H13NO4S
- SMILES
-
Cc1ccc(S(=O)(=O)NC2OC(=O)c3ccc
cc32)cc1 - Molecular Weight1
- 303.33
- CAS
- 101097-83-0
- 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° | -246.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -499.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.60 | kJ/mol | Joback Calculated Property |
| log10WS | -4.11 | Crippen Calculated Property | |
| logPoct/wat | 2.143 | Crippen Calculated Property | |
| McVol | 209.340 | ml/mol | McGowan Calculated Property |
| Pc | 3452.08 | kPa | Joback Calculated Property |
| Tboil | 805.38 | K | Joback Calculated Property |
| Tc | 1051.28 | K | Joback Calculated Property |
| Tfus | 540.64 | K | Joback Calculated Property |
| Vc | 0.805 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [602.30; 663.31] | J/mol×K | [805.38; 1051.28] | 
|
| Cp,gas | 602.30 | J/mol×K | 805.38 | Joback Calculated Property |
| Cp,gas | 615.94 | J/mol×K | 846.36 | Joback Calculated Property |
| Cp,gas | 628.14 | J/mol×K | 887.35 | Joback Calculated Property |
| Cp,gas | 638.94 | J/mol×K | 928.33 | Joback Calculated Property |
| Cp,gas | 648.38 | J/mol×K | 969.32 | Joback Calculated Property |
| Cp,gas | 656.49 | J/mol×K | 1010.30 | Joback Calculated Property |
| Cp,gas | 663.31 | J/mol×K | 1051.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-n-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)benzenesulfonamide.
Sources
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