- InChI
- InChI=1S/C12H17NO3/c1-4-5-12(14)13-10-8-9(15-2)6-7-11(10)16-3/h6-8H,4-5H2,1-3H3,(H,13,14)
- InChI Key
- VBJWZQLKFYYTHQ-UHFFFAOYSA-N
- Formula
- C12H17NO3
- SMILES
- CCCC(=O)Nc1cc(OC)ccc1OC
- Molecular Weight1
- 223.27
- 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° | -106.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -400.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.91 | kJ/mol | Joback Calculated Property |
| log10WS | -2.75 | Crippen Calculated Property | |
| logPoct/wat | 2.442 | Crippen Calculated Property | |
| McVol | 179.470 | ml/mol | McGowan Calculated Property |
| Pc | 2433.84 | kPa | Joback Calculated Property |
| Inp | 1854.00 | NIST | |
| Tboil | 659.48 | K | Joback Calculated Property |
| Tc | 865.30 | K | Joback Calculated Property |
| Tfus | 423.51 | K | Joback Calculated Property |
| Vc | 0.676 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [470.58; 544.05] | J/mol×K | [659.48; 865.30] | 
|
| Cp,gas | 470.58 | J/mol×K | 659.48 | Joback Calculated Property |
| Cp,gas | 484.80 | J/mol×K | 693.78 | Joback Calculated Property |
| Cp,gas | 498.23 | J/mol×K | 728.09 | Joback Calculated Property |
| Cp,gas | 510.88 | J/mol×K | 762.39 | Joback Calculated Property |
| Cp,gas | 522.73 | J/mol×K | 796.69 | Joback Calculated Property |
| Cp,gas | 533.79 | J/mol×K | 830.99 | Joback Calculated Property |
| Cp,gas | 544.05 | J/mol×K | 865.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanamide, N-(2,5-dimethoxyphenyl)-.
Sources
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