- InChI
- InChI=1S/C14H14N2O4S/c1-15(2)11-8-9-13(16(17)18)14(10-11)21(19,20)12-6-4-3-5-7-12/h3-10H,1-2H3
- InChI Key
- KUYCVJFSENOEML-UHFFFAOYSA-N
- Formula
- C14H14N2O4S
- SMILES
-
CN(C)c1ccc([N+](=O)[O-])c(S(=O
)(=O)c2ccccc2)c1 - Molecular Weight1
- 306.34
- CAS
- 19770-95-7
- 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 | 0.7350 | Relay (1.0) Calculated Property | |
| ΔfG° | -49.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -98.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.494 | Crippen Calculated Property | |
| McVol | 216.090 | ml/mol | McGowan Calculated Property |
| Pc | 3210.04 | kPa | Joback Calculated Property |
| Tboil | 668.86 | K | Relay (1.0) Calculated Property |
| Tc | 970.61 | K | Relay (1.0) Calculated Property |
| Tfus | 409.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.744 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [598.98; 658.90] | J/mol×K | [795.10; 1041.09] | 
|
| Cp,gas | 598.98 | J/mol×K | 795.10 | Joback Calculated Property |
| Cp,gas | 612.23 | J/mol×K | 836.10 | Joback Calculated Property |
| Cp,gas | 624.10 | J/mol×K | 877.10 | Joback Calculated Property |
| Cp,gas | 634.64 | J/mol×K | 918.09 | Joback Calculated Property |
| Cp,gas | 643.91 | J/mol×K | 959.09 | Joback Calculated Property |
| Cp,gas | 651.98 | J/mol×K | 1000.09 | Joback Calculated Property |
| Cp,gas | 658.90 | J/mol×K | 1041.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N,n-dimethyl-4-nitro-3-phenylsulfonylaniline.
Sources
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