- InChI
- InChI=1S/C16H22N2O4S/c1-12(19)13-8-10-15(11-9-13)23(21,22)18(2)16(20)17-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,17,20)
- InChI Key
- LJUVADVEZRRERT-UHFFFAOYSA-N
- Formula
- C16H22N2O4S
- SMILES
-
CC(=O)c1ccc(S(=O)(=O)N(C)C(=O)
NC2CCCCC2)cc1 - Molecular Weight1
- 338.42
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.7880 | Relay (1.0) Calculated Property | |
| ΔfG° | -315.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -672.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.552 | Crippen Calculated Property | |
| McVol | 252.870 | ml/mol | McGowan Calculated Property |
| Pc | 2654.29 | kPa | Joback Calculated Property |
| Inp | [2665.00; 2665.00] |
|
|
| Inp | 2665.00 | NIST | |
| Inp | 2665.00 | NIST | |
| Tboil | 683.06 | K | Relay (1.0) Calculated Property |
| Tc | 979.19 | K | Relay (1.0) Calculated Property |
| Tfus | 416.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.892 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [774.78; 843.69] | J/mol×K | [834.82; 1058.54] |
|
| Cp,gas | 774.78 | J/mol×K | 834.82 | Joback Calculated Property |
| Cp,gas | 789.87 | J/mol×K | 872.11 | Joback Calculated Property |
| Cp,gas | 803.45 | J/mol×K | 909.39 | Joback Calculated Property |
| Cp,gas | 815.58 | J/mol×K | 946.68 | Joback Calculated Property |
| Cp,gas | 826.29 | J/mol×K | 983.97 | Joback Calculated Property |
| Cp,gas | 835.65 | J/mol×K | 1021.26 | Joback Calculated Property |
| Cp,gas | 843.69 | J/mol×K | 1058.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetohexamide, N-methyl-.
Sources
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