- InChI
- InChI=1S/C13H19NO3/c1-4-5-8-14-13(15)10-6-7-11(16-2)12(9-10)17-3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)
- InChI Key
- KEBWOOMKEMSTRE-UHFFFAOYSA-N
- Formula
- C13H19NO3
- SMILES
- CCCCNC(=O)c1ccc(OC)c(OC)c1
- Molecular Weight1
- 237.29
- 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° | -97.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -421.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.13 | kJ/mol | Joback Calculated Property |
| log10WS | -3.31 | Crippen Calculated Property | |
| logPoct/wat | 2.234 | Crippen Calculated Property | |
| McVol | 193.560 | ml/mol | McGowan Calculated Property |
| Pc | 2218.71 | kPa | Joback Calculated Property |
| Inp | [2150.00; 2150.00] |
|
|
| Inp | 2150.00 | NIST | |
| Inp | 2150.00 | NIST | |
| Tboil | 682.36 | K | Joback Calculated Property |
| Tc | 885.46 | K | Joback Calculated Property |
| Tfus | 434.78 | K | Joback Calculated Property |
| Vc | 0.733 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [522.52; 598.54] | J/mol×K | [682.36; 885.46] |
|
| Cp,gas | 522.52 | J/mol×K | 682.36 | Joback Calculated Property |
| Cp,gas | 537.27 | J/mol×K | 716.21 | Joback Calculated Property |
| Cp,gas | 551.19 | J/mol×K | 750.06 | Joback Calculated Property |
| Cp,gas | 564.27 | J/mol×K | 783.91 | Joback Calculated Property |
| Cp,gas | 576.52 | J/mol×K | 817.76 | Joback Calculated Property |
| Cp,gas | 587.94 | J/mol×K | 851.61 | Joback Calculated Property |
| Cp,gas | 598.54 | J/mol×K | 885.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3,4-dimethoxy-N-butyl-.
Sources
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