- InChI
- InChI=1S/C17H14O2S/c1-13-6-9-16(10-7-13)20(18,19)17-11-8-14-4-2-3-5-15(14)12-17/h2-12H,1H3
- InChI Key
- UOUHDIZYOCFQKG-UHFFFAOYSA-N
- Formula
- C17H14O2S
- SMILES
-
Cc1ccc(S(=O)(=O)c2ccc3ccccc3c2
)cc1 - Molecular Weight1
- 282.36
- CAS
- 13250-06-1
- 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° | -64.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -206.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.59 | kJ/mol | Joback Calculated Property |
| log10WS | -5.12 | Crippen Calculated Property | |
| logPoct/wat | 3.981 | Crippen Calculated Property | |
| McVol | 211.500 | ml/mol | McGowan Calculated Property |
| Pc | 3025.61 | kPa | Joback Calculated Property |
| Tboil | 718.44 | K | Joback Calculated Property |
| Tc | 963.13 | K | Joback Calculated Property |
| Tfus | 427.00 ± 3.00 | K | NIST |
| Vc | 0.820 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [548.84; 623.88] | J/mol×K | [718.44; 963.13] | 
|
| Cp,gas | 548.84 | J/mol×K | 718.44 | Joback Calculated Property |
| Cp,gas | 564.56 | J/mol×K | 759.22 | Joback Calculated Property |
| Cp,gas | 578.89 | J/mol×K | 800.00 | Joback Calculated Property |
| Cp,gas | 591.90 | J/mol×K | 840.78 | Joback Calculated Property |
| Cp,gas | 603.68 | J/mol×K | 881.57 | Joback Calculated Property |
| Cp,gas | 614.31 | J/mol×K | 922.35 | Joback Calculated Property |
| Cp,gas | 623.88 | J/mol×K | 963.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Naphthyl-p-tolyl sulfone.
Sources
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