- InChI
- InChI=1S/C13H19NO2/c1-4-5-10-14(2)13(15)11-6-8-12(16-3)9-7-11/h6-9H,4-5,10H2,1-3H3
- InChI Key
- BFMFZYCZHUWBBF-UHFFFAOYSA-N
- Formula
- C13H19NO2
- SMILES
- CCCCN(C)C(=O)c1ccc(OC)cc1
- Molecular Weight1
- 221.30
- 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.
- 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 | 0.6812 | Relay (1.0) Calculated Property | |
| ΔfG° | 38.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -308.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.567 | Crippen Calculated Property | |
| McVol | 187.690 | ml/mol | McGowan Calculated Property |
| Pc | 2254.67 | kPa | Joback Calculated Property |
| Inp | [2249.00; 2249.00] |
|
|
| Inp | 2249.00 | NIST | |
| Inp | 2249.00 | NIST | |
| Tboil | 595.79 | K | Relay (1.0) Calculated Property |
| Tc | 776.12 | K | Relay (1.0) Calculated Property |
| Tfus | 322.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.690 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [480.53; 563.27] | J/mol×K | [617.23; 818.49] |
|
| Cp,gas | 480.53 | J/mol×K | 617.23 | Joback Calculated Property |
| Cp,gas | 496.49 | J/mol×K | 650.77 | Joback Calculated Property |
| Cp,gas | 511.54 | J/mol×K | 684.32 | Joback Calculated Property |
| Cp,gas | 525.72 | J/mol×K | 717.86 | Joback Calculated Property |
| Cp,gas | 539.05 | J/mol×K | 751.40 | Joback Calculated Property |
| Cp,gas | 551.56 | J/mol×K | 784.95 | Joback Calculated Property |
| Cp,gas | 563.27 | J/mol×K | 818.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-methoxy-N-butyl-N-methyl-.
Sources
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