- InChI
- InChI=1S/C7H10N2O2S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H2,9,10,11)
- InChI Key
- IGQGXIVCGKMRAM-UHFFFAOYSA-N
- Formula
- C7H10N2O2S
- SMILES
- Cc1cc(S(N)(=O)=O)ccc1N
- Molecular Weight1
- 186.23
- CAS
- 53297-70-4
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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 | 0.6756 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -4166.00 | kJ/mol | NIST |
| ΔfG° | -234.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -259.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -620.10 | kJ/mol | NIST |
| ΔfusH° | 28.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.225 | Crippen Calculated Property | |
| McVol | 133.780 | ml/mol | McGowan Calculated Property |
| Pc | 5739.21 | kPa | Joback Calculated Property |
| Tboil | 600.82 | K | Relay (1.0) Calculated Property |
| Tc | 872.67 | K | Relay (1.0) Calculated Property |
| Tfus | 420.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.467 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [313.36; 370.90] | J/mol×K | [589.04; 818.58] | 
|
| Cp,gas | 313.36 | J/mol×K | 589.04 | Joback Calculated Property |
| Cp,gas | 324.87 | J/mol×K | 627.30 | Joback Calculated Property |
| Cp,gas | 335.60 | J/mol×K | 665.55 | Joback Calculated Property |
| Cp,gas | 345.57 | J/mol×K | 703.81 | Joback Calculated Property |
| Cp,gas | 354.78 | J/mol×K | 742.07 | Joback Calculated Property |
| Cp,gas | 363.22 | J/mol×K | 780.32 | Joback Calculated Property |
| Cp,gas | 370.90 | J/mol×K | 818.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-4-aminobenzenesulfonamide.
Sources
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