- InChI
- InChI=1S/C23H20N2O4S2/c1-17-16-22(24-30(26,27)18-10-4-2-5-11-18)20-14-8-9-15-21(20)23(17)25-31(28,29)19-12-6-3-7-13-19/h2-16,24-25H,1H3
- InChI Key
- LBDHRBVJFBGCHO-UHFFFAOYSA-N
- Formula
- C23H20N2O4S2
- SMILES
-
Cc1cc(NS(=O)(=O)c2ccccc2)c2ccc
cc2c1NS(=O)(=O)c1ccccc1 - Molecular Weight1
- 452.55
- CAS
- 116401-66-2
- 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 | 0.9410 | Relay (1.0) Calculated Property | |
| ΔfG° | -200.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -242.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 163.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.750 | Crippen Calculated Property | |
| McVol | 320.330 | ml/mol | McGowan Calculated Property |
| Pc | 2778.85 | kPa | Joback Calculated Property |
| Tboil | 794.26 | K | Relay (1.0) Calculated Property |
| Tc | 1265.81 | K | Relay (1.0) Calculated Property |
| Tfus | 485.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.113 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [971.44; 1002.74] | J/mol×K | [1035.50; 1285.19] | 
|
| Cp,gas | 971.44 | J/mol×K | 1035.50 | Joback Calculated Property |
| Cp,gas | 980.18 | J/mol×K | 1077.11 | Joback Calculated Property |
| Cp,gas | 987.38 | J/mol×K | 1118.73 | Joback Calculated Property |
| Cp,gas | 993.13 | J/mol×K | 1160.34 | Joback Calculated Property |
| Cp,gas | 997.53 | J/mol×K | 1201.96 | Joback Calculated Property |
| Cp,gas | 1000.71 | J/mol×K | 1243.57 | Joback Calculated Property |
| Cp,gas | 1002.74 | J/mol×K | 1285.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-1,4-di(phenylsulfonamido)naphthalene.
Sources
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