- InChI
- InChI=1S/C10H13NO/c1-7-4-5-8(2)10(6-7)11-9(3)12/h4-6H,1-3H3,(H,11,12)
- InChI Key
- CXLKSNKWHULUKA-UHFFFAOYSA-N
- Formula
- C10H13NO
- SMILES
- CC(=O)Nc1cc(C)ccc1C
- Molecular Weight1
- 163.22
- 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 | 0.5560 | Relay (1.0) Calculated Property | |
| ΔfG° | 86.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -193.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.262 | Crippen Calculated Property | |
| McVol | 139.550 | ml/mol | McGowan Calculated Property |
| Pc | 3082.99 | kPa | Joback Calculated Property |
| Tboil | 549.49 | K | Relay (1.0) Calculated Property |
| Tc | 778.81 | K | Relay (1.0) Calculated Property |
| Tfus | 364.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.507 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.02; 391.70] | J/mol×K | [568.88; 786.12] | 
|
| Cp,gas | 323.02 | J/mol×K | 568.88 | Joback Calculated Property |
| Cp,gas | 336.31 | J/mol×K | 605.09 | Joback Calculated Property |
| Cp,gas | 348.83 | J/mol×K | 641.29 | Joback Calculated Property |
| Cp,gas | 360.60 | J/mol×K | 677.50 | Joback Calculated Property |
| Cp,gas | 371.66 | J/mol×K | 713.70 | Joback Calculated Property |
| Cp,gas | 382.02 | J/mol×K | 749.91 | Joback Calculated Property |
| Cp,gas | 391.70 | J/mol×K | 786.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2',5'-DIMETHYLACETANILIDE.
Sources
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