- InChI
- InChI=1S/C14H19NO3/c1-4-8-18-13(16)10-15(3)14(17)12-7-5-6-11(2)9-12/h5-7,9H,4,8,10H2,1-3H3
- InChI Key
- TXEJCVOGHARRMS-UHFFFAOYSA-N
- Formula
- C14H19NO3
- SMILES
- CCCOC(=O)CN(C)C(=O)c1cccc(C)c1
- Molecular Weight1
- 249.31
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -82.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -397.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.64 | kJ/mol | Joback Calculated Property |
| log10WS | -2.63 | Crippen Calculated Property | |
| logPoct/wat | 2.020 | Crippen Calculated Property | |
| McVol | 203.350 | ml/mol | McGowan Calculated Property |
| Pc | 2185.64 | kPa | Joback Calculated Property |
| Inp | [1981.00; 1981.00] |
|
|
| Inp | 1981.00 | NIST | |
| Inp | 1981.00 | NIST | |
| Tboil | 693.98 | K | Joback Calculated Property |
| Tc | 899.30 | K | Joback Calculated Property |
| Tfus | 441.04 | K | Joback Calculated Property |
| Vc | 0.759 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [552.42; 628.29] | J/mol×K | [693.98; 899.30] |
|
| Cp,gas | 552.42 | J/mol×K | 693.98 | Joback Calculated Property |
| Cp,gas | 567.33 | J/mol×K | 728.20 | Joback Calculated Property |
| Cp,gas | 581.29 | J/mol×K | 762.42 | Joback Calculated Property |
| Cp,gas | 594.34 | J/mol×K | 796.64 | Joback Calculated Property |
| Cp,gas | 606.50 | J/mol×K | 830.86 | Joback Calculated Property |
| Cp,gas | 617.81 | J/mol×K | 865.08 | Joback Calculated Property |
| Cp,gas | 628.29 | J/mol×K | 899.30 | Joback Calculated Property |
Similar Compounds
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Sources
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