- InChI
- InChI=1S/C11H15ClO2S/c1-2-3-4-5-10-6-8-11(9-7-10)15(12,13)14/h6-9H,2-5H2,1H3
- InChI Key
- XDWXZRVWJHEWMT-UHFFFAOYSA-N
- Formula
- C11H15ClO2S
- SMILES
- CCCCCc1ccc(S(=O)(=O)Cl)cc1
- Molecular Weight1
- 246.76
- 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 | 0.6364 | Relay (1.0) Calculated Property | |
| ΔfG° | -335.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -369.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.347 | Crippen Calculated Property | |
| McVol | 182.420 | ml/mol | McGowan Calculated Property |
| Pc | 2953.69 | kPa | Joback Calculated Property |
| Tboil | 586.18 | K | Relay (1.0) Calculated Property |
| Tc | 812.76 | K | Relay (1.0) Calculated Property |
| Tfus | 313.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.656 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.55; 542.76] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.94140e+01 | |||
| Coefficient B | 9.50810e-01 | |||
| Coefficient C | -4.93560e-04 | |||
| Coefficient D | 6.61000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 243.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 296.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 344.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 387.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 424.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 457.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 485.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 508.61 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 527.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 542.76 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-T-amylbenzenesulphonyl chloride.
Sources
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