- InChI
- InChI=1S/C13H19NO/c1-10(2)8-9-14-13(15)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,14,15)
- InChI Key
- AVLHVSHTWPMHEE-UHFFFAOYSA-N
- Formula
- C13H19NO
- SMILES
- Cc1ccc(C(=O)NCCC(C)C)cc1
- Molecular Weight1
- 205.30
- 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° | 119.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.26 | kJ/mol | Joback Calculated Property |
| log10WS | -3.72 | Crippen Calculated Property | |
| logPoct/wat | 2.771 | Crippen Calculated Property | |
| McVol | 181.820 | ml/mol | McGowan Calculated Property |
| Pc | 2342.82 | kPa | Joback Calculated Property |
| Inp | [1851.00; 1851.00] |
|
|
| Inp | 1851.00 | NIST | |
| Inp | 1851.00 | NIST | |
| Tboil | 632.10 | K | Joback Calculated Property |
| Tc | 842.01 | K | Joback Calculated Property |
| Tfus | 362.80 | K | Joback Calculated Property |
| Vc | 0.691 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [470.41; 552.10] | J/mol×K | [632.10; 842.01] |
|
| Cp,gas | 470.41 | J/mol×K | 632.10 | Joback Calculated Property |
| Cp,gas | 486.29 | J/mol×K | 667.08 | Joback Calculated Property |
| Cp,gas | 501.21 | J/mol×K | 702.07 | Joback Calculated Property |
| Cp,gas | 515.22 | J/mol×K | 737.05 | Joback Calculated Property |
| Cp,gas | 528.35 | J/mol×K | 772.04 | Joback Calculated Property |
| Cp,gas | 540.63 | J/mol×K | 807.02 | Joback Calculated Property |
| Cp,gas | 552.10 | J/mol×K | 842.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-methyl-N-(3-methylbutyl)-.
Sources
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