- InChI
- InChI=1S/C12H17NO/c1-9-6-5-7-10(8-9)13-11(14)12(2,3)4/h5-8H,1-4H3,(H,13,14)
- InChI Key
- OIJOHXNKDKMBCV-UHFFFAOYSA-N
- Formula
- C12H17NO
- SMILES
- Cc1cccc(NC(=O)C(C)(C)C)c1
- Molecular Weight1
- 191.27
- CAS
- 32597-29-8
- Other Names
-
- 2,2-Dimethyl-N-(3-methylphenyl)propanamide
- Propanamide, N-(3-methylphenyl)-2,2-dimethyl-
- 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° | 116.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -133.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.13 | kJ/mol | Joback Calculated Property |
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 2.980 | Crippen Calculated Property | |
| McVol | 167.730 | ml/mol | McGowan Calculated Property |
| Pc | 2605.74 | kPa | Joback Calculated Property |
| Inp | 1524.00 | NIST | |
| Tboil | 606.43 | K | Joback Calculated Property |
| Tc | 827.99 | K | Joback Calculated Property |
| Tfus | 368.95 | K | Joback Calculated Property |
| Vc | 0.629 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [422.85; 502.40] | J/mol×K | [606.43; 827.99] | 
|
| Cp,gas | 422.85 | J/mol×K | 606.43 | Joback Calculated Property |
| Cp,gas | 438.62 | J/mol×K | 643.36 | Joback Calculated Property |
| Cp,gas | 453.30 | J/mol×K | 680.28 | Joback Calculated Property |
| Cp,gas | 466.95 | J/mol×K | 717.21 | Joback Calculated Property |
| Cp,gas | 479.65 | J/mol×K | 754.13 | Joback Calculated Property |
| Cp,gas | 491.44 | J/mol×K | 791.06 | Joback Calculated Property |
| Cp,gas | 502.40 | J/mol×K | 827.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 2,2-dimethyl-N-(3-methylphenyl)-.
Sources
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