- InChI
- InChI=1S/C12H17NO/c1-3-4-10-13(2)12(14)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
- InChI Key
- PEIWKXSTMJJWDX-UHFFFAOYSA-N
- Formula
- C12H17NO
- SMILES
- CCCCN(C)C(=O)c1ccccc1
- Molecular Weight1
- 191.27
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5678 | Relay (1.0) Calculated Property | |
| ΔfG° | 144.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -155.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.559 | Crippen Calculated Property | |
| McVol | 167.730 | ml/mol | McGowan Calculated Property |
| Pc | 2555.92 | kPa | Joback Calculated Property |
| Inp | [1595.00; 1664.78] |
|
|
| Inp | 1621.37 | NIST | |
| Inp | 1641.72 | NIST | |
| Inp | 1644.21 | NIST | |
| Inp | 1664.78 | NIST | |
| Inp | 1595.00 | NIST | |
| Inp | 1621.37 | NIST | |
| Inp | 1595.00 | NIST | |
| I | [2554.04; 2594.85] |
|
|
| I | 2554.04 | NIST | |
| I | 2574.33 | NIST | |
| I | 2594.85 | NIST | |
| I | 2554.04 | NIST | |
| Tboil | 563.99 | K | Relay (1.0) Calculated Property |
| Tc | 752.78 | K | Relay (1.0) Calculated Property |
| Tfus | 273.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.621 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.29; 486.87] | J/mol×K | [566.95; 772.19] |
|
| Cp,gas | 404.29 | J/mol×K | 566.95 | Joback Calculated Property |
| Cp,gas | 420.36 | J/mol×K | 601.16 | Joback Calculated Property |
| Cp,gas | 435.45 | J/mol×K | 635.36 | Joback Calculated Property |
| Cp,gas | 449.60 | J/mol×K | 669.57 | Joback Calculated Property |
| Cp,gas | 462.86 | J/mol×K | 703.78 | Joback Calculated Property |
| Cp,gas | 475.27 | J/mol×K | 737.99 | Joback Calculated Property |
| Cp,gas | 486.87 | J/mol×K | 772.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Butyl-N-methyl-benzamide.
Sources
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