- InChI
- InChI=1S/C12H15NO3/c1-15-9-5-6-11(16-2)10(7-9)13-12(14)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,13,14)
- InChI Key
- IBCVYNJHZCKFIG-UHFFFAOYSA-N
- Formula
- C12H15NO3
- SMILES
- COc1ccc(OC)c(NC(=O)C2CC2)c1
- Molecular Weight1
- 221.25
- 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 | 0.6921 | Relay (... Calculated Property | |
| ΔfG° | -45.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.69 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.18 | kJ/mol | Relay (... Calculated Property |
| IE | 7.79 | eV | Relay (... Calculated Property |
| log10WS | -2.71 | Relay (... Calculated Property | |
| logPoct/wat | 2.052 | Crippen Calculated Property | |
| McVol | 168.610 | ml/mol | McGowan Calculated Property |
| Pc | 2778.85 | kPa | Joback Calculated Property |
| Inp | 1924.00 | NIST | |
| Tboil | 600.73 | K | Relay (... Calculated Property |
| Tc | 855.79 | K | Relay (... Calculated Property |
| Tfus | 393.38 | K | Relay (... Calculated Property |
| Vc | 0.624 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.34; 529.32] | J/mol×K | [666.22; 885.29] | 
|
| Cp,gas | 455.34 | J/mol×K | 666.22 | Joback Calculated Property |
| Cp,gas | 469.89 | J/mol×K | 702.73 | Joback Calculated Property |
| Cp,gas | 483.51 | J/mol×K | 739.24 | Joback Calculated Property |
| Cp,gas | 496.23 | J/mol×K | 775.76 | Joback Calculated Property |
| Cp,gas | 508.09 | J/mol×K | 812.27 | Joback Calculated Property |
| Cp,gas | 519.11 | J/mol×K | 848.78 | Joback Calculated Property |
| Cp,gas | 529.32 | J/mol×K | 885.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropanecarboxamide, N-(2,5-dimethoxyphenyl)-.
Sources
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