- InChI
- InChI=1S/C7H15NO3S/c1-11-12(9,10)8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3
- InChI Key
- MCKYCQMLMPAYIV-UHFFFAOYSA-N
- Formula
- C7H15NO3S
- SMILES
- COS(=O)(=O)NC1CCCCC1
- Molecular Weight1
- 193.26
- 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° | -451.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -665.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.09 | kJ/mol | Joback Calculated Property |
| log10WS | -1.85 | Crippen Calculated Property | |
| logPoct/wat | 0.800 | Crippen Calculated Property | |
| McVol | 142.570 | ml/mol | McGowan Calculated Property |
| Pc | 4249.61 | kPa | Joback Calculated Property |
| Inp | 1528.00 | NIST | |
| Tboil | 499.48 | K | Joback Calculated Property |
| Tc | 698.78 | K | Joback Calculated Property |
| Tfus | 289.48 | K | Joback Calculated Property |
| Vc | 0.539 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.22; 413.51] | J/mol×K | [499.48; 698.78] | 
|
| Cp,gas | 326.22 | J/mol×K | 499.48 | Joback Calculated Property |
| Cp,gas | 342.72 | J/mol×K | 532.70 | Joback Calculated Property |
| Cp,gas | 358.45 | J/mol×K | 565.91 | Joback Calculated Property |
| Cp,gas | 373.40 | J/mol×K | 599.13 | Joback Calculated Property |
| Cp,gas | 387.57 | J/mol×K | 632.35 | Joback Calculated Property |
| Cp,gas | 400.94 | J/mol×K | 665.56 | Joback Calculated Property |
| Cp,gas | 413.51 | J/mol×K | 698.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclamat (cyclohexaneaminosulfonic acid) methyl ester.
Sources
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