- InChI
- InChI=1S/C12H17NO/c1-4-10(2)13(3)12(14)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
- InChI Key
- BRCXRESFUXLPOM-UHFFFAOYSA-N
- Formula
- C12H17NO
- SMILES
- CCC(C)N(C)C(=O)c1ccccc1
- Molecular Weight1
- 191.27
- 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.
- I : 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° | 141.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -104.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.98 | kJ/mol | Joback Calculated Property |
| log10WS | -2.98 | Crippen Calculated Property | |
| logPoct/wat | 2.557 | Crippen Calculated Property | |
| McVol | 167.730 | ml/mol | McGowan Calculated Property |
| Pc | 2576.72 | kPa | Joback Calculated Property |
| Inp | [1567.69; 1634.08] |
|
|
| Inp | 1567.69 | NIST | |
| Inp | 1582.36 | NIST | |
| Inp | 1580.72 | NIST | |
| Inp | 1594.83 | NIST | |
| Inp | 1603.84 | NIST | |
| Inp | 1621.60 | NIST | |
| Inp | 1617.16 | NIST | |
| Inp | 1634.08 | NIST | |
| I | [2434.25; 2475.52] |
|
|
| I | 2434.25 | NIST | |
| I | 2450.89 | NIST | |
| I | 2447.50 | NIST | |
| I | 2463.28 | NIST | |
| I | 2460.44 | NIST | |
| I | 2475.52 | NIST | |
| Tboil | 566.51 | K | Joback Calculated Property |
| Tc | 776.09 | K | Joback Calculated Property |
| Tfus | 318.82 | K | Joback Calculated Property |
| Vc | 0.618 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.63; 488.90] | J/mol×K | [566.51; 776.09] |
|
| Cp,gas | 404.63 | J/mol×K | 566.51 | Joback Calculated Property |
| Cp,gas | 421.10 | J/mol×K | 601.44 | Joback Calculated Property |
| Cp,gas | 436.54 | J/mol×K | 636.37 | Joback Calculated Property |
| Cp,gas | 450.99 | J/mol×K | 671.30 | Joback Calculated Property |
| Cp,gas | 464.50 | J/mol×K | 706.23 | Joback Calculated Property |
| Cp,gas | 477.12 | J/mol×K | 741.16 | Joback Calculated Property |
| Cp,gas | 488.90 | J/mol×K | 776.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-(1-methylpropyl)-N-methyl-benzamide.
Sources
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