- 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
- 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 | 0.6166 | Relay (1.0) Calculated Property | |
| ΔfG° | -64.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -70.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.30 | Relay (1.0) 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 | 710.73 | K | Relay (1.0) Calculated Property |
| Tc | 997.26 | K | Relay (1.0) Calculated Property |
| Tfus | 427.00 ± 3.00 | K | NIST |
| Vc | 0.758 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [261.72; 631.69] | 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 | -4.99800e+01 | |||
| Coefficient B | 1.37191e+00 | |||
| Coefficient C | -9.00440e-04 | |||
| Coefficient D | 2.10200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 261.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 331.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 393.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 446.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 492.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 531.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 563.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 591.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 613.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 631.69 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Naphthyl-p-tolyl sulfone.
Sources
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