- InChI
- InChI=1S/C7H11N3O4S2/c1-4-2-5(8)7(16(10,13)14)3-6(4)15(9,11)12/h2-3H,8H2,1H3,(H2,9,11,12)(H2,10,13,14)
- InChI Key
- JGFQDYAUPNZBMU-UHFFFAOYSA-N
- Formula
- C7H11N3O4S2
- SMILES
-
Cc1cc(N)c(S(N)(=O)=O)cc1S(N)(=
O)=O - Molecular Weight1
- 265.31
- CAS
- 1020-33-3
- 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 | 0.8536 | Relay (1.0) Calculated Property | |
| ΔfG° | -646.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -538.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | -1.128 | Crippen Calculated Property | |
| McVol | 171.850 | ml/mol | McGowan Calculated Property |
| Pc | 7929.40 | kPa | Joback Calculated Property |
| Tboil | 643.71 | K | Relay (1.0) Calculated Property |
| Tc | 1001.94 | K | Relay (1.0) Calculated Property |
| Tfus | 479.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.601 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.35; 493.12] | J/mol×K | [714.33; 941.43] | 
|
| Cp,gas | 445.35 | J/mol×K | 714.33 | Joback Calculated Property |
| Cp,gas | 455.86 | J/mol×K | 752.18 | Joback Calculated Property |
| Cp,gas | 465.38 | J/mol×K | 790.03 | Joback Calculated Property |
| Cp,gas | 473.89 | J/mol×K | 827.88 | Joback Calculated Property |
| Cp,gas | 481.37 | J/mol×K | 865.73 | Joback Calculated Property |
| Cp,gas | 487.78 | J/mol×K | 903.58 | Joback Calculated Property |
| Cp,gas | 493.12 | J/mol×K | 941.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Amino-6-methyl-1,3-benzenedisulfonamide.
Sources
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