- InChI
- InChI=1S/C10H13NO2/c1-8-4-3-5-9(6-8)11-10(12)7-13-2/h3-6H,7H2,1-2H3,(H,11,12)
- InChI Key
- KHVUHFOOPAOLHJ-UHFFFAOYSA-N
- Formula
- C10H13NO2
- SMILES
- COCC(=O)Nc1cccc(C)c1
- Molecular Weight1
- 179.22
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -8.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -216.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.38 | kJ/mol | Joback Calculated Property |
| log10WS | -1.66 | Crippen Calculated Property | |
| logPoct/wat | 1.580 | Crippen Calculated Property | |
| McVol | 145.420 | ml/mol | McGowan Calculated Property |
| Pc | 3076.16 | kPa | Joback Calculated Property |
| Inp | 1554.00 | NIST | |
| Tboil | 586.32 | K | Joback Calculated Property |
| Tc | 800.02 | K | Joback Calculated Property |
| Tfus | 366.22 | K | Joback Calculated Property |
| Vc | 0.546 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.62; 416.30] | J/mol×K | [586.32; 800.02] | 
|
| Cp,gas | 347.62 | J/mol×K | 586.32 | Joback Calculated Property |
| Cp,gas | 360.93 | J/mol×K | 621.94 | Joback Calculated Property |
| Cp,gas | 373.47 | J/mol×K | 657.55 | Joback Calculated Property |
| Cp,gas | 385.26 | J/mol×K | 693.17 | Joback Calculated Property |
| Cp,gas | 396.32 | J/mol×K | 728.79 | Joback Calculated Property |
| Cp,gas | 406.66 | J/mol×K | 764.40 | Joback Calculated Property |
| Cp,gas | 416.30 | J/mol×K | 800.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(3-methylphenyl)-2-methoxy-.
Sources
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