- InChI
- InChI=1S/C6H4ClNO4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H
- InChI Key
- JXRGUPLJCCDGKG-UHFFFAOYSA-N
- Formula
- C6H4ClNO4S
- SMILES
-
O=[N+]([O-])c1ccc(S(=O)(=O)Cl)
cc1 - Molecular Weight1
- 221.62
- CAS
- 98-74-8
- Other Names
-
- Benzenesulfonyl chloride, p-nitro-
- p-Nitrobenzenesulfonyl chloride
- p-Nitrophenylsulfonyl chloride
- 4-Nitrobenzenesulfonic acid chloride
- 4-Nitrobenzenesulfonyl chloride
- 4-Nitrophenylsulfonyl chloride
- Benzenesulfonyl chloride, 4-nitro-
- p-Nitrobenzenesulphonyl chloride
- NSC 13065
- 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).
- 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° | -342.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -421.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.50 | kJ/mol | Joback Calculated Property |
| log10WS | -2.54 | Crippen Calculated Property | |
| logPoct/wat | 1.522 | Crippen Calculated Property | |
| McVol | 129.390 | ml/mol | McGowan Calculated Property |
| Pc | 5503.26 | kPa | Joback Calculated Property |
| Tboil | 605.39 | K | Joback Calculated Property |
| Tc | 852.34 | K | Joback Calculated Property |
| Tfus | 408.41 | K | Joback Calculated Property |
| Vc | 0.520 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.56; 318.10] | J/mol×K | [605.39; 852.34] | 
|
| Cp,gas | 273.56 | J/mol×K | 605.39 | Joback Calculated Property |
| Cp,gas | 283.06 | J/mol×K | 646.55 | Joback Calculated Property |
| Cp,gas | 291.71 | J/mol×K | 687.71 | Joback Calculated Property |
| Cp,gas | 299.53 | J/mol×K | 728.86 | Joback Calculated Property |
| Cp,gas | 306.53 | J/mol×K | 770.02 | Joback Calculated Property |
| Cp,gas | 312.71 | J/mol×K | 811.18 | Joback Calculated Property |
| Cp,gas | 318.10 | J/mol×K | 852.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nitrobenzenesulphonyl chloride.
Sources
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