- InChI
- InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
- InChI Key
- CVHZOJJKTDOEJC-UHFFFAOYSA-N
- Formula
- C7H5NO3S
- SMILES
- O=C1NS(=O)(=O)c2ccccc21
- Molecular Weight1
- 183.18
- CAS
- 81-07-2
- Other Names
-
- 1,1-Diox-1,2-benzisothiazol-3-one
- 1,1-Dioxide-1,2-benzisothiazol-3(2H)-one
- 1,1-Dioxido-3-oxo-2,3-dihydrobenzo[d]isothiazole
- 1,1-Dioxo-1,2-benzisothiazol-3(2H)-one
- 1,1-Dioxo-1,2-dihydro-benzo[d]isothiazol-3-one
- 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide
- 1,2-Benzisothiazolin-3-one, 1,1-dioxide
- 1,2-Benzisothiazoline-3-one 1,1-dioxide
- 1,2-Dihydro-2-ketobenzisosulfonazole
- 1,2-Dihydro-2-ketobenzisosulphonazole
- 1,2-benzisothiazol-3-one 1,1-dioxide
- 1,2-benzoisothiazolin-3-one 1,1-dioxide
- 2,3-Dihydro-1,2-benzisothiazol-3-one-1,1-dioxide
- 2,3-Dihydro-1,2-benzoisothiazol-3-one-1,1-dioxide
- 2,3-Dihydro-3-oxobenzisosulfonazole
- 2,3-Dihydro-3-oxobenzisosulphonazole
- 2-Sulfobenzoic acid imide
- 2-Sulfobenzoic imide
- 2-Sulphobenzoic imide
- 3-Benzisothiazolinone 1,1-dioxide
- 3-Hydroxybenzisothiazole S,S-dioxide
- 550 Saccharine
- Anhydro-o-sulfaminebenzoic acid
- Benzisosulfonazole, 2,3-dihydro-3-oxo-
- Benzo-2-sulphimide
- Benzo-sulphinide
- Benzoic sulfimide
- Benzoic sulphimide
- Benzosulfimide
- Benzosulfinide
- Benzosulphimide
- Benzoylsulfonic Imide
- Garantose
- Glucid
- Gluside
- Hermesetas
- Insoluble saccharin
- Kandiset
- Natreen
- RCRA Waste number U202
- Sacarina
- Saccharimide
- Saccharin acid
- Saccharin, insoluble
- Saccharina
- Saccharine
- Saccharinol
- Saccharinose
- Saccharol
- Sacharin
- Saxin
- Sucre edulcor
- Sucrette
- Sweeta
- Sykose
- Syncal
- Zaharina
- o-Benzoic acid sulfimide
- o-Benzoic sulfimide
- o-Benzoic sulphimide
- o-Benzosulfimide
- o-Benzosulphimide
- o-Benzoyl sulfimide
- o-Benzoyl sulphimide
- o-Sulfobenzimide
- o-Sulfobenzoic acid imide
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- 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° | -317.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -419.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.61 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 112.60 ± 4.20 | kJ/mol | NIST |
| ΔvapH° | 62.97 | kJ/mol | Joback Calculated Property |
| log10WS | -1.64 | Aq. Sol... | |
| logPoct/wat | 0.119 | Crippen Calculated Property | |
| McVol | 114.510 | ml/mol | McGowan Calculated Property |
| Pc | 6729.65 | kPa | Joback Calculated Property |
| Tboil | 545.83 | K | Joback Calculated Property |
| Tc | 785.52 | K | Joback Calculated Property |
| Tfus | [498.40; 502.30] | K |
|
| Tfus | 502.30 | K | Aq. Sol... |
| Tfus | 499.45 | K | Determi... |
| Tfus | 499.00 ± 1.00 | K | NIST |
| Tfus | 501.00 ± 1.50 | K | NIST |
| Tfus | 500.75 ± 1.50 | K | NIST |
| Tfus | 500.70 ± 1.50 | K | NIST |
| Tfus | 498.40 ± 2.00 | K | NIST |
| Vc | 0.440 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.40; 302.11] | J/mol×K | [545.83; 785.52] |
|
| Cp,gas | 245.40 | J/mol×K | 545.83 | Joback Calculated Property |
| Cp,gas | 256.71 | J/mol×K | 585.78 | Joback Calculated Property |
| Cp,gas | 267.26 | J/mol×K | 625.73 | Joback Calculated Property |
| Cp,gas | 277.07 | J/mol×K | 665.67 | Joback Calculated Property |
| Cp,gas | 286.14 | J/mol×K | 705.62 | Joback Calculated Property |
| Cp,gas | 294.48 | J/mol×K | 745.57 | Joback Calculated Property |
| Cp,gas | 302.11 | J/mol×K | 785.52 | Joback Calculated Property |
| ΔfusH | [26.77; 32.10] | kJ/mol | [500.70; 502.90] |
|
| ΔfusH | 29.89 | kJ/mol | 500.70 | NIST |
| ΔfusH | 26.77 | kJ/mol | 502.70 | NIST |
| ΔfusH | 32.10 | kJ/mol | 502.90 | NIST |
Similar Compounds
Find more compounds similar to Saccharin.
Mixtures
- Saccharin + Methyl Alcohol
- Ethanol + Saccharin
- 1-Propanol + Saccharin
- Isopropyl Alcohol + Saccharin
- 1-Propanol, 2-methyl- + Saccharin
- Ethyl Acetate + Saccharin
- Acetone + Saccharin
- Ethenzamide + Ethanol + Saccharin
- Isopropyl Alcohol + Ethenzamide + Saccharin
- Ethenzamide + Ethyl Acetate + Saccharin
- Carbamazepine + Saccharin + Methyl Alcohol
- Saccharin + Methyl Alcohol + Water
- Carbamazepine + Saccharin + Water
- Saccharin + Water
Sources
- Crippen Method
- Solid-liquid phase equilibrium and ternary phase diagrams of ethenzamide-saccharin cocrystals in different solvents
- Determination and correlation of solubility and solution thermodynamics of saccharin in different pure solvents
- Solubility Determination for Carbamazepine and Saccharin in Methanol/Water Mixed Solvent: Basic Data for Design of Cocrystal Production by Antisolvent Crystallization
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.