- InChI
- InChI=1S/C13H19NO2/c1-3-9-16-13(15)14-11(2)10-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,14,15)
- InChI Key
- SFWKZOLVTWGRFW-UHFFFAOYSA-N
- Formula
- C13H19NO2
- SMILES
- CCCOC(=O)NC(C)Cc1ccccc1
- Molecular Weight1
- 221.30
- 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).
- 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 | 0.6387 | Relay (1.0) Calculated Property | |
| ΔfG° | 24.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -397.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.754 | Crippen Calculated Property | |
| McVol | 187.690 | ml/mol | McGowan Calculated Property |
| Pc | 2338.29 | kPa | Joback Calculated Property |
| Tboil | 565.38 | K | Relay (1.0) Calculated Property |
| Tc | 770.74 | K | Relay (1.0) Calculated Property |
| Tfus | 290.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.680 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.58; 578.08] | J/mol×K | [649.54; 856.42] | 
|
| Cp,gas | 497.58 | J/mol×K | 649.54 | Joback Calculated Property |
| Cp,gas | 513.29 | J/mol×K | 684.02 | Joback Calculated Property |
| Cp,gas | 528.04 | J/mol×K | 718.50 | Joback Calculated Property |
| Cp,gas | 541.86 | J/mol×K | 752.98 | Joback Calculated Property |
| Cp,gas | 554.79 | J/mol×K | 787.46 | Joback Calculated Property |
| Cp,gas | 566.86 | J/mol×K | 821.94 | Joback Calculated Property |
| Cp,gas | 578.08 | J/mol×K | 856.42 | Joback Calculated Property |
Similar Compounds
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Sources
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