- InChI
- InChI=1S/C16H19ClN2O2S/c1-3-19(4-2)13-7-10-15(18)16(11-13)22(20,21)14-8-5-12(17)6-9-14/h5-11H,3-4,18H2,1-2H3
- InChI Key
- TYVKQKGYFZFZSL-UHFFFAOYSA-N
- Formula
- C16H19ClN2O2S
- SMILES
-
CCN(CC)c1ccc(N)c(S(=O)(=O)c2cc
c(Cl)cc2)c1 - Molecular Weight1
- 338.85
- CAS
- 19789-54-9
- 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 | 0.7915 | Relay (1.0) Calculated Property | |
| ΔfG° | -23.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -236.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.601 | Crippen Calculated Property | |
| McVol | 249.070 | ml/mol | McGowan Calculated Property |
| Pc | 2592.49 | kPa | Joback Calculated Property |
| Tboil | 705.03 | K | Relay (1.0) Calculated Property |
| Tc | 986.87 | K | Relay (1.0) Calculated Property |
| Tfus | 417.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.847 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [690.58; 757.06] | J/mol×K | [803.96; 1032.54] | 
|
| Cp,gas | 690.58 | J/mol×K | 803.96 | Joback Calculated Property |
| Cp,gas | 704.69 | J/mol×K | 842.06 | Joback Calculated Property |
| Cp,gas | 717.52 | J/mol×K | 880.15 | Joback Calculated Property |
| Cp,gas | 729.13 | J/mol×K | 918.25 | Joback Calculated Property |
| Cp,gas | 739.55 | J/mol×K | 956.35 | Joback Calculated Property |
| Cp,gas | 748.85 | J/mol×K | 994.44 | Joback Calculated Property |
| Cp,gas | 757.06 | J/mol×K | 1032.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, 4-(n,n-diethylamino)-2-(p-chlorophenylsulfonyl)-.
Sources
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