- InChI
- InChI=1S/C15H21NO/c1-16(14-11-7-2-3-8-12-14)15(17)13-9-5-4-6-10-13/h4-6,9-10,14H,2-3,7-8,11-12H2,1H3
- InChI Key
- VWYPFXAKGSHTSX-UHFFFAOYSA-N
- Formula
- C15H21NO
- SMILES
- CN(C(=O)c1ccccc1)C1CCCCCC1
- Molecular Weight1
- 231.33
- 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.
- I : 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 | 0.5016 | Relay (1.0) Calculated Property | |
| ΔfG° | 182.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -177.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.481 | Crippen Calculated Property | |
| McVol | 199.140 | ml/mol | McGowan Calculated Property |
| Pc | 2412.37 | kPa | Joback Calculated Property |
| Inp | 1978.72 | NIST | |
| I | 2956.19 | NIST | |
| Tboil | 622.15 | K | Relay (1.0) Calculated Property |
| Tc | 844.01 | K | Relay (1.0) Calculated Property |
| Tfus | 320.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.699 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [552.55; 658.21] | J/mol×K | [659.41; 897.14] | 
|
| Cp,gas | 552.55 | J/mol×K | 659.41 | Joback Calculated Property |
| Cp,gas | 574.07 | J/mol×K | 699.03 | Joback Calculated Property |
| Cp,gas | 593.93 | J/mol×K | 738.65 | Joback Calculated Property |
| Cp,gas | 612.20 | J/mol×K | 778.28 | Joback Calculated Property |
| Cp,gas | 628.96 | J/mol×K | 817.90 | Joback Calculated Property |
| Cp,gas | 644.27 | J/mol×K | 857.52 | Joback Calculated Property |
| Cp,gas | 658.21 | J/mol×K | 897.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-cycloheptyl-N-methyl-benzamide.
Sources
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