- InChI
- InChI=1S/C12H17NO2/c1-12(2,3)11(14)13-9-5-7-10(15-4)8-6-9/h5-8H,1-4H3,(H,13,14)
- InChI Key
- JFRWTFVXZCJZKV-UHFFFAOYSA-N
- Formula
- C12H17NO2
- SMILES
- COc1ccc(NC(=O)C(C)(C)C)cc1
- Molecular Weight1
- 207.27
- CAS
- 56619-94-4
- 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° | 11.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -266.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.54 | kJ/mol | Joback Calculated Property |
| log10WS | -2.81 | Crippen Calculated Property | |
| logPoct/wat | 2.680 | Crippen Calculated Property | |
| McVol | 173.600 | ml/mol | McGowan Calculated Property |
| Pc | 2561.10 | kPa | Joback Calculated Property |
| Inp | [1702.00; 1702.00] |
|
|
| Inp | 1702.00 | NIST | |
| Inp | 1702.00 | NIST | |
| Tboil | 628.85 | K | Joback Calculated Property |
| Tc | 847.63 | K | Joback Calculated Property |
| Tfus | 391.18 | K | Joback Calculated Property |
| Vc | 0.647 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [448.58; 526.22] | J/mol×K | [628.85; 847.63] |
|
| Cp,gas | 448.58 | J/mol×K | 628.85 | Joback Calculated Property |
| Cp,gas | 463.92 | J/mol×K | 665.31 | Joback Calculated Property |
| Cp,gas | 478.24 | J/mol×K | 701.78 | Joback Calculated Property |
| Cp,gas | 491.59 | J/mol×K | 738.24 | Joback Calculated Property |
| Cp,gas | 504.00 | J/mol×K | 774.70 | Joback Calculated Property |
| Cp,gas | 515.53 | J/mol×K | 811.16 | Joback Calculated Property |
| Cp,gas | 526.22 | J/mol×K | 847.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(4-methoxyphenyl)-2,2-dimethyl-.
Sources
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