- InChI
- InChI=1S/C17H27NO3/c1-4-5-6-7-8-9-12-18-17(19)14-10-11-15(20-2)16(13-14)21-3/h10-11,13H,4-9,12H2,1-3H3,(H,18,19)
- InChI Key
- PPCZRRYXPYAMEM-UHFFFAOYSA-N
- Formula
- C17H27NO3
- SMILES
- CCCCCCCCNC(=O)c1ccc(OC)c(OC)c1
- Molecular Weight1
- 293.40
- 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° | -64.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -504.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.04 | kJ/mol | Joback Calculated Property |
| log10WS | -4.99 | Crippen Calculated Property | |
| logPoct/wat | 3.794 | Crippen Calculated Property | |
| McVol | 249.920 | ml/mol | McGowan Calculated Property |
| Pc | 1591.08 | kPa | Joback Calculated Property |
| Inp | [2563.00; 2563.00] |
|
|
| Inp | 2563.00 | NIST | |
| Inp | 2563.00 | NIST | |
| Tboil | 773.88 | K | Joback Calculated Property |
| Tc | 970.50 | K | Joback Calculated Property |
| Tfus | 479.86 | K | Joback Calculated Property |
| Vc | 0.957 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [742.66; 825.25] | J/mol×K | [773.88; 970.50] |
|
| Cp,gas | 742.66 | J/mol×K | 773.88 | Joback Calculated Property |
| Cp,gas | 758.88 | J/mol×K | 806.65 | Joback Calculated Property |
| Cp,gas | 774.10 | J/mol×K | 839.42 | Joback Calculated Property |
| Cp,gas | 788.33 | J/mol×K | 872.19 | Joback Calculated Property |
| Cp,gas | 801.59 | J/mol×K | 904.96 | Joback Calculated Property |
| Cp,gas | 813.90 | J/mol×K | 937.73 | Joback Calculated Property |
| Cp,gas | 825.25 | J/mol×K | 970.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3,4-dimethoxy-N-octyl-.
Sources
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