- InChI
- InChI=1S/C13H11NO2S2/c1-18(15,16)9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)17-13/h2-8,14H,1H3
- InChI Key
- XMSALNTWEPZQLO-UHFFFAOYSA-N
- Formula
- C13H11NO2S2
- SMILES
-
CS(=O)(=O)c1ccc2c(c1)Nc1ccccc1
S2 - Molecular Weight1
- 277.36
- 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).
- Inp : Non-polar retention indices.
- 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° | -5.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -143.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.33 | kJ/mol | Joback Calculated Property |
| log10WS | -3.63 | Crippen Calculated Property | |
| logPoct/wat | 3.298 | Crippen Calculated Property | |
| McVol | 190.070 | ml/mol | McGowan Calculated Property |
| Pc | 4233.04 | kPa | Joback Calculated Property |
| Inp | [3180.00; 3180.00] |
|
|
| Inp | 3180.00 | NIST | |
| Inp | 3180.00 | NIST | |
| Tboil | 716.44 | K | Joback Calculated Property |
| Tc | 973.30 | K | Joback Calculated Property |
| Tfus | 579.41 | K | Joback Calculated Property |
| Vc | 0.723 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [472.60; 537.10] | J/mol×K | [716.44; 973.30] |
|
| Cp,gas | 472.60 | J/mol×K | 716.44 | Joback Calculated Property |
| Cp,gas | 486.05 | J/mol×K | 759.25 | Joback Calculated Property |
| Cp,gas | 498.29 | J/mol×K | 802.06 | Joback Calculated Property |
| Cp,gas | 509.43 | J/mol×K | 844.87 | Joback Calculated Property |
| Cp,gas | 519.55 | J/mol×K | 887.68 | Joback Calculated Property |
| Cp,gas | 528.74 | J/mol×K | 930.49 | Joback Calculated Property |
| Cp,gas | 537.10 | J/mol×K | 973.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sulforidazine M (ring).
Sources
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