- InChI
- InChI=1S/C13H18N2O2/c1-11(16)14-8-9-15(12(2)17)10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,14,16)
- InChI Key
- HRQWXMJJAOLWEO-UHFFFAOYSA-N
- Formula
- C13H18N2O2
- SMILES
- CC(=O)NCCN(Cc1ccccc1)C(C)=O
- Molecular Weight1
- 234.29
- 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 | 0.6607 | Relay (1.0) Calculated Property | |
| ΔfG° | 113.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -305.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.171 | Crippen Calculated Property | |
| McVol | 193.370 | ml/mol | McGowan Calculated Property |
| Pc | 2505.01 | kPa | Joback Calculated Property |
| Inp | 2110.00 | NIST | |
| Tboil | 606.10 | K | Relay (1.0) Calculated Property |
| Tc | 838.99 | K | Relay (1.0) Calculated Property |
| Tfus | 343.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.691 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [527.58; 600.27] | J/mol×K | [693.87; 902.95] | 
|
| Cp,gas | 527.58 | J/mol×K | 693.87 | Joback Calculated Property |
| Cp,gas | 541.98 | J/mol×K | 728.72 | Joback Calculated Property |
| Cp,gas | 555.40 | J/mol×K | 763.56 | Joback Calculated Property |
| Cp,gas | 567.89 | J/mol×K | 798.41 | Joback Calculated Property |
| Cp,gas | 579.49 | J/mol×K | 833.25 | Joback Calculated Property |
| Cp,gas | 590.27 | J/mol×K | 868.10 | Joback Calculated Property |
| Cp,gas | 600.27 | J/mol×K | 902.95 | Joback Calculated Property |
Similar Compounds
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Sources
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