- InChI
- InChI=1S/C17H22N2O2S/c1-4-19(5-2)14-8-11-16(18)17(12-14)22(20,21)15-9-6-13(3)7-10-15/h6-12H,4-5,18H2,1-3H3
- InChI Key
- ZHQDEKYRCTUNAM-UHFFFAOYSA-N
- Formula
- C17H22N2O2S
- SMILES
-
CCN(CC)c1ccc(N)c(S(=O)(=O)c2cc
c(C)cc2)c1 - Molecular Weight1
- 318.43
- CAS
- 19770-83-3
- 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 | 0.8059 | Relay (1.0) Calculated Property | |
| ΔfG° | -3.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -223.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.256 | Crippen Calculated Property | |
| McVol | 250.920 | ml/mol | McGowan Calculated Property |
| Pc | 2443.48 | kPa | Joback Calculated Property |
| Tboil | 704.64 | K | Relay (1.0) Calculated Property |
| Tc | 973.25 | K | Relay (1.0) Calculated Property |
| Tfus | 405.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.869 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [720.92; 796.44] | J/mol×K | [789.41; 1012.04] | 
|
| Cp,gas | 720.92 | J/mol×K | 789.41 | Joback Calculated Property |
| Cp,gas | 736.62 | J/mol×K | 826.51 | Joback Calculated Property |
| Cp,gas | 751.01 | J/mol×K | 863.62 | Joback Calculated Property |
| Cp,gas | 764.14 | J/mol×K | 900.72 | Joback Calculated Property |
| Cp,gas | 776.05 | J/mol×K | 937.83 | Joback Calculated Property |
| Cp,gas | 786.81 | J/mol×K | 974.93 | Joback Calculated Property |
| Cp,gas | 796.44 | J/mol×K | 1012.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, 4-(n,n-diethylamino)-2-(p-tolylsulfonyl)-.
Sources
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