- InChI
- InChI=1S/C7H10ClN3O4S2/c1-11-17(14,15)7-3-6(16(10,12)13)4(8)2-5(7)9/h2-3,11H,9H2,1H3,(H2,10,12,13)
- InChI Key
- HZLMCYKKQJTLER-UHFFFAOYSA-N
- Formula
- C7H10ClN3O4S2
- SMILES
-
CNS(=O)(=O)c1cc(S(N)(=O)=O)c(C
l)cc1N - Molecular Weight1
- 299.75
- CAS
- 13659-98-8
- 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 | 0.8205 | Relay (1.0) Calculated Property | |
| ΔfG° | -635.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -545.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.522 | Crippen Calculated Property | |
| McVol | 184.090 | ml/mol | McGowan Calculated Property |
| Pc | 6898.38 | kPa | Joback Calculated Property |
| Tboil | 670.02 | K | Relay (1.0) Calculated Property |
| Tc | 1016.06 | K | Relay (1.0) Calculated Property |
| Tfus | 455.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.630 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [459.91; 503.83] | J/mol×K | [729.40; 952.11] | 
|
| Cp,gas | 459.91 | J/mol×K | 729.40 | Joback Calculated Property |
| Cp,gas | 469.74 | J/mol×K | 766.52 | Joback Calculated Property |
| Cp,gas | 478.58 | J/mol×K | 803.64 | Joback Calculated Property |
| Cp,gas | 486.44 | J/mol×K | 840.75 | Joback Calculated Property |
| Cp,gas | 493.27 | J/mol×K | 877.87 | Joback Calculated Property |
| Cp,gas | 499.08 | J/mol×K | 914.99 | Joback Calculated Property |
| Cp,gas | 503.83 | J/mol×K | 952.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Amino-2-chloro-5(methylsulfamyl)benzenesulfonamide.
Sources
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