- InChI
- InChI=1S/C15H21NO2/c1-12(2)16(14(4)17)9-6-10-18-15-8-5-7-13(3)11-15/h5-9,11-12H,10H2,1-4H3/b9-6+
- InChI Key
- NARJAWFSQHVZJD-RMKNXTFCSA-N
- Formula
- C15H21NO2
- SMILES
- CC(=O)N(C=CCOc1cccc(C)c1)C(C)C
- Molecular Weight1
- 247.33
- 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.
- 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 | 0.6218 | Relay (1.0) Calculated Property | |
| ΔfG° | 132.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -300.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.144 | Crippen Calculated Property | |
| McVol | 211.570 | ml/mol | McGowan Calculated Property |
| Pc | 1996.55 | kPa | Joback Calculated Property |
| Inp | 2230.00 | NIST | |
| Tboil | 591.03 | K | Relay (1.0) Calculated Property |
| Tc | 799.26 | K | Relay (1.0) Calculated Property |
| Tfus | 343.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.752 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [563.94; 649.56] | J/mol×K | [666.71; 873.77] | 
|
| Cp,gas | 563.94 | J/mol×K | 666.71 | Joback Calculated Property |
| Cp,gas | 580.62 | J/mol×K | 701.22 | Joback Calculated Property |
| Cp,gas | 596.27 | J/mol×K | 735.73 | Joback Calculated Property |
| Cp,gas | 610.94 | J/mol×K | 770.24 | Joback Calculated Property |
| Cp,gas | 624.69 | J/mol×K | 804.75 | Joback Calculated Property |
| Cp,gas | 637.54 | J/mol×K | 839.26 | Joback Calculated Property |
| Cp,gas | 649.56 | J/mol×K | 873.77 | Joback Calculated Property |
Similar Compounds
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)
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