- InChI
- InChI=1S/C16H18O2S/c1-11-5-7-13(3)15(9-11)19(17,18)16-10-12(2)6-8-14(16)4/h5-10H,1-4H3
- InChI Key
- LVRGWIOEAZMJCV-UHFFFAOYSA-N
- Formula
- C16H18O2S
- SMILES
-
Cc1ccc(C)c(S(=O)(=O)c2cc(C)ccc
2C)c1 - Molecular Weight1
- 274.38
- CAS
- 6632-44-6
- Other Names
-
- 2,5-Xylyl sulfone
- 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° | -198.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -399.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.05 | kJ/mol | Joback Calculated Property |
| log10WS | -4.74 | Crippen Calculated Property | |
| logPoct/wat | 3.753 | Crippen Calculated Property | |
| McVol | 216.870 | ml/mol | McGowan Calculated Property |
| Pc | 2507.52 | kPa | Joback Calculated Property |
| Tboil | 686.54 | K | Joback Calculated Property |
| Tc | 910.52 | K | Joback Calculated Property |
| Tfus | 416.00 ± 3.00 | K | NIST |
| Vc | 0.842 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [559.18; 642.67] | J/mol×K | [686.54; 910.52] | 
|
| Cp,gas | 559.18 | J/mol×K | 686.54 | Joback Calculated Property |
| Cp,gas | 576.01 | J/mol×K | 723.87 | Joback Calculated Property |
| Cp,gas | 591.65 | J/mol×K | 761.20 | Joback Calculated Property |
| Cp,gas | 606.12 | J/mol×K | 798.53 | Joback Calculated Property |
| Cp,gas | 619.43 | J/mol×K | 835.86 | Joback Calculated Property |
| Cp,gas | 631.60 | J/mol×K | 873.19 | Joback Calculated Property |
| Cp,gas | 642.67 | J/mol×K | 910.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2',5,5'-Tetramethyldiphenylsulfone.
Sources
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