- InChI
- InChI=1S/C16H9Cl3O3S/c17-10-5-7-11(8-6-10)23(20,21)22-16-13-4-2-1-3-12(13)14(18)9-15(16)19/h1-9H
- InChI Key
- DNNCQNJRNQSPCT-UHFFFAOYSA-N
- Formula
- C16H9Cl3O3S
- SMILES
-
O=S(=O)(Oc1c(Cl)cc(Cl)c2ccccc1
2)c1ccc(Cl)cc1 - Molecular Weight1
- 387.67
- CAS
- 19361-91-2
- 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 | 0.7457 | Relay (1.0) Calculated Property | |
| ΔfG° | -232.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -308.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.568 | Crippen Calculated Property | |
| McVol | 240.000 | ml/mol | McGowan Calculated Property |
| Pc | 2829.33 | kPa | Joback Calculated Property |
| Tboil | 696.15 | K | Relay (1.0) Calculated Property |
| Tc | 1058.31 | K | Relay (1.0) Calculated Property |
| Tfus | 404.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.843 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [584.75; 629.08] | J/mol×K | [840.23; 1093.35] | 
|
| Cp,gas | 584.75 | J/mol×K | 840.23 | Joback Calculated Property |
| Cp,gas | 595.01 | J/mol×K | 882.42 | Joback Calculated Property |
| Cp,gas | 604.05 | J/mol×K | 924.60 | Joback Calculated Property |
| Cp,gas | 611.92 | J/mol×K | 966.79 | Joback Calculated Property |
| Cp,gas | 618.68 | J/mol×K | 1008.97 | Joback Calculated Property |
| Cp,gas | 624.38 | J/mol×K | 1051.16 | Joback Calculated Property |
| Cp,gas | 629.08 | J/mol×K | 1093.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dichloro-1-naphthyl 4-chlorobenzenesulfonate.
Sources
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