- InChI
- InChI=1S/C10H13NO4S/c1-3-15-10(12)8-4-6-9(7-5-8)11-16(2,13)14/h4-7,11H,3H2,1-2H3
- InChI Key
- AOBNSCYTCGBVQR-UHFFFAOYSA-N
- Formula
- C10H13NO4S
- SMILES
- CCOC(=O)c1ccc(NS(C)(=O)=O)cc1
- Molecular Weight1
- 243.28
- CAS
- 7151-77-1
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7410 | Relay (1.0) Calculated Property | |
| ΔfG° | -476.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -627.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.235 | Crippen Calculated Property | |
| McVol | 173.510 | ml/mol | McGowan Calculated Property |
| Pc | 3682.02 | kPa | Joback Calculated Property |
| Tboil | 629.15 | K | Relay (1.0) Calculated Property |
| Tc | 875.23 | K | Relay (1.0) Calculated Property |
| Tfus | 422.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.622 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [430.10; 496.64] | J/mol×K | [634.10; 840.20] | 
|
| Cp,gas | 430.10 | J/mol×K | 634.10 | Joback Calculated Property |
| Cp,gas | 443.28 | J/mol×K | 668.45 | Joback Calculated Property |
| Cp,gas | 455.63 | J/mol×K | 702.80 | Joback Calculated Property |
| Cp,gas | 467.14 | J/mol×K | 737.15 | Joback Calculated Property |
| Cp,gas | 477.82 | J/mol×K | 771.50 | Joback Calculated Property |
| Cp,gas | 487.65 | J/mol×K | 805.85 | Joback Calculated Property |
| Cp,gas | 496.64 | J/mol×K | 840.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, p-(methylsulfonamido)-, ethyl ester.
Sources
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