- InChI
- InChI=1S/C12H15NO2/c1-15-11-7-5-10(6-8-11)13-12(14)9-3-2-4-9/h5-9H,2-4H2,1H3,(H,13,14)
- InChI Key
- UTNDRACUGMUVPU-UHFFFAOYSA-N
- Formula
- C12H15NO2
- SMILES
- COc1ccc(NC(=O)C2CCC2)cc1
- Molecular Weight1
- 205.25
- 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 | 0.6199 | Relay (1.0) Calculated Property | |
| ΔfG° | 57.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -255.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.434 | Crippen Calculated Property | |
| McVol | 162.740 | ml/mol | McGowan Calculated Property |
| Pc | 2953.69 | kPa | Joback Calculated Property |
| Inp | [1933.00; 1933.00] |
|
|
| Inp | 1933.00 | NIST | |
| Inp | 1933.00 | NIST | |
| Tboil | 603.57 | K | Relay (1.0) Calculated Property |
| Tc | 854.07 | K | Relay (1.0) Calculated Property |
| Tfus | 384.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.582 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [432.24; 512.10] | J/mol×K | [643.09; 871.25] |
|
| Cp,gas | 432.24 | J/mol×K | 643.09 | Joback Calculated Property |
| Cp,gas | 448.16 | J/mol×K | 681.12 | Joback Calculated Property |
| Cp,gas | 462.96 | J/mol×K | 719.14 | Joback Calculated Property |
| Cp,gas | 476.71 | J/mol×K | 757.17 | Joback Calculated Property |
| Cp,gas | 489.45 | J/mol×K | 795.19 | Joback Calculated Property |
| Cp,gas | 501.23 | J/mol×K | 833.22 | Joback Calculated Property |
| Cp,gas | 512.10 | J/mol×K | 871.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutanecarboxamide, N-(4-methoxyphenyl)-.
Sources
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