- InChI
- InChI=1S/C13H17NO3/c1-9(2)7-13(15)14-11-8-10(16-3)5-6-12(11)17-4/h5-8H,1-4H3,(H,14,15)
- InChI Key
- SIOULVGQXKBFSI-UHFFFAOYSA-N
- Formula
- C13H17NO3
- SMILES
- COc1ccc(OC)c(NC(=O)C=C(C)C)c1
- Molecular Weight1
- 235.28
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7128 | Relay (1.0) Calculated Property | |
| ΔfG° | -26.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -383.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.608 | Crippen Calculated Property | |
| McVol | 189.260 | ml/mol | McGowan Calculated Property |
| Pc | 2342.82 | kPa | Joback Calculated Property |
| Inp | [1995.00; 1995.00] |
|
|
| Inp | 1995.00 | NIST | |
| Inp | 1995.00 | NIST | |
| Tboil | 598.18 | K | Relay (1.0) Calculated Property |
| Tc | 836.14 | K | Relay (1.0) Calculated Property |
| Tfus | 400.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.674 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [499.47; 573.05] | J/mol×K | [686.40; 900.12] |
|
| Cp,gas | 499.47 | J/mol×K | 686.40 | Joback Calculated Property |
| Cp,gas | 513.86 | J/mol×K | 722.02 | Joback Calculated Property |
| Cp,gas | 527.38 | J/mol×K | 757.64 | Joback Calculated Property |
| Cp,gas | 540.04 | J/mol×K | 793.26 | Joback Calculated Property |
| Cp,gas | 551.87 | J/mol×K | 828.88 | Joback Calculated Property |
| Cp,gas | 562.86 | J/mol×K | 864.50 | Joback Calculated Property |
| Cp,gas | 573.05 | J/mol×K | 900.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenamide, N-(2,5-dimethoxyphenyl)-3-methyl-.
Sources
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