- InChI
- InChI=1S/C16H25NO3/c1-4-5-6-7-8-11-17-16(18)13-9-10-14(19-2)15(12-13)20-3/h9-10,12H,4-8,11H2,1-3H3,(H,17,18)
- InChI Key
- UHGARZJDPDXZFM-UHFFFAOYSA-N
- Formula
- C16H25NO3
- SMILES
- CCCCCCCNC(=O)c1ccc(OC)c(OC)c1
- Molecular Weight1
- 279.37
- 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° | -72.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -483.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.81 | kJ/mol | Joback Calculated Property |
| log10WS | -4.57 | Crippen Calculated Property | |
| logPoct/wat | 3.404 | Crippen Calculated Property | |
| McVol | 235.830 | ml/mol | McGowan Calculated Property |
| Pc | 1720.31 | kPa | Joback Calculated Property |
| Inp | [2461.00; 2461.00] |
|
|
| Inp | 2461.00 | NIST | |
| Inp | 2461.00 | NIST | |
| Tboil | 751.00 | K | Joback Calculated Property |
| Tc | 948.50 | K | Joback Calculated Property |
| Tfus | 468.59 | K | Joback Calculated Property |
| Vc | 0.900 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [685.95; 767.32] | J/mol×K | [751.00; 948.50] |
|
| Cp,gas | 685.95 | J/mol×K | 751.00 | Joback Calculated Property |
| Cp,gas | 701.87 | J/mol×K | 783.92 | Joback Calculated Property |
| Cp,gas | 716.83 | J/mol×K | 816.83 | Joback Calculated Property |
| Cp,gas | 730.85 | J/mol×K | 849.75 | Joback Calculated Property |
| Cp,gas | 743.93 | J/mol×K | 882.66 | Joback Calculated Property |
| Cp,gas | 756.08 | J/mol×K | 915.58 | Joback Calculated Property |
| Cp,gas | 767.32 | J/mol×K | 948.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3,4-dimethoxy-N-heptyl-.
Sources
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