- InChI
- InChI=1S/C16H25NO3/c1-5-6-7-8-12(2)17-16(18)13-9-10-14(19-3)15(11-13)20-4/h9-12H,5-8H2,1-4H3,(H,17,18)
- InChI Key
- VGDFNVUARCVODJ-UHFFFAOYSA-N
- Formula
- C16H25NO3
- SMILES
-
CCCCCC(C)NC(=O)c1ccc(OC)c(OC)c
1 - 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° | -74.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -488.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.42 | kJ/mol | Joback Calculated Property |
| log10WS | -4.68 | Crippen Calculated Property | |
| logPoct/wat | 3.402 | Crippen Calculated Property | |
| McVol | 235.830 | ml/mol | McGowan Calculated Property |
| Pc | 1731.78 | kPa | Joback Calculated Property |
| Inp | [2316.00; 2316.00] |
|
|
| Inp | 2316.00 | NIST | |
| Inp | 2316.00 | NIST | |
| Tboil | 750.56 | K | Joback Calculated Property |
| Tc | 950.78 | K | Joback Calculated Property |
| Tfus | 453.59 | K | Joback Calculated Property |
| Vc | 0.894 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [686.47; 768.69] | J/mol×K | [750.56; 950.78] |
|
| Cp,gas | 686.47 | J/mol×K | 750.56 | Joback Calculated Property |
| Cp,gas | 702.62 | J/mol×K | 783.93 | Joback Calculated Property |
| Cp,gas | 717.78 | J/mol×K | 817.30 | Joback Calculated Property |
| Cp,gas | 731.96 | J/mol×K | 850.67 | Joback Calculated Property |
| Cp,gas | 745.16 | J/mol×K | 884.04 | Joback Calculated Property |
| Cp,gas | 757.40 | J/mol×K | 917.41 | Joback Calculated Property |
| Cp,gas | 768.69 | J/mol×K | 950.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3,4-dimethoxy-N-(hept-2-yl)-.
Sources
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