- InChI
- InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,17)12-7-5-8-14(10-12)18-2/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15-/m0/s1
- InChI Key
- VUMQHLSPUAFKKK-ZFWWWQNUSA-N
- Formula
- C15H23NO2
- SMILES
- CNCC1CCCCC1(O)c1cccc(OC)c1
- Molecular Weight1
- 249.35
- CAS
- 75377-45-6
- 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 | 0.7029 | Relay (1.0) Calculated Property | |
| ΔfG° | 37.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -264.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.292 | Crippen Calculated Property | |
| McVol | 209.310 | ml/mol | McGowan Calculated Property |
| Pc | 2410.00 | kPa | Joback Calculated Property |
| Inp | 2024.90 | NIST | |
| Tboil | 621.08 | K | Relay (1.0) Calculated Property |
| Tc | 852.76 | K | Relay (1.0) Calculated Property |
| Tfus | 362.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.718 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [638.05; 732.53] | J/mol×K | [754.15; 969.45] | 
|
| Cp,gas | 638.05 | J/mol×K | 754.15 | Joback Calculated Property |
| Cp,gas | 655.37 | J/mol×K | 790.03 | Joback Calculated Property |
| Cp,gas | 671.91 | J/mol×K | 825.92 | Joback Calculated Property |
| Cp,gas | 687.78 | J/mol×K | 861.80 | Joback Calculated Property |
| Cp,gas | 703.10 | J/mol×K | 897.68 | Joback Calculated Property |
| Cp,gas | 717.98 | J/mol×K | 933.56 | Joback Calculated Property |
| Cp,gas | 732.53 | J/mol×K | 969.45 | Joback Calculated Property |
Similar Compounds
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Sources
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