- InChI
- InChI=1S/C14H18O4/c1-5-17-12(15)14(3,4)13(16)18-11-9-7-6-8-10(11)2/h6-9H,5H2,1-4H3
- InChI Key
- ZALSQJZHOKEFPD-UHFFFAOYSA-N
- Formula
- C14H18O4
- SMILES
- CCOC(=O)C(C)(C)C(=O)Oc1ccccc1C
- Molecular Weight1
- 250.29
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.6165 | Relay (1.0) Calculated Property | |
| ΔfG° | -295.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -721.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.490 | Crippen Calculated Property | |
| McVol | 199.240 | ml/mol | McGowan Calculated Property |
| Pc | 2193.84 | kPa | Joback Calculated Property |
| Inp | [1629.00; 1629.00] |
|
|
| Inp | 1629.00 | NIST | |
| Inp | 1629.00 | NIST | |
| Tboil | 550.53 | K | Relay (1.0) Calculated Property |
| Tc | 768.15 | K | Relay (1.0) Calculated Property |
| Tfus | 293.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.734 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [542.67; 616.83] | J/mol×K | [700.73; 917.02] |
|
| Cp,gas | 542.67 | J/mol×K | 700.73 | Joback Calculated Property |
| Cp,gas | 557.49 | J/mol×K | 736.78 | Joback Calculated Property |
| Cp,gas | 571.28 | J/mol×K | 772.83 | Joback Calculated Property |
| Cp,gas | 584.09 | J/mol×K | 808.88 | Joback Calculated Property |
| Cp,gas | 595.93 | J/mol×K | 844.93 | Joback Calculated Property |
| Cp,gas | 606.83 | J/mol×K | 880.97 | Joback Calculated Property |
| Cp,gas | 616.83 | J/mol×K | 917.02 | Joback Calculated Property |
| η | [0.0001000; 0.0009784] | Pa×s | [433.22; 700.73] |
|
| η | 0.0009784 | Pa×s | 433.22 | Joback Calculated Property |
| η | 0.0005603 | Pa×s | 477.81 | Joback Calculated Property |
| η | 0.0003529 | Pa×s | 522.39 | Joback Calculated Property |
| η | 0.0002390 | Pa×s | 566.98 | Joback Calculated Property |
| η | 0.0001714 | Pa×s | 611.56 | Joback Calculated Property |
| η | 0.0001285 | Pa×s | 656.14 | Joback Calculated Property |
| η | 0.0001000 | Pa×s | 700.73 | Joback Calculated Property |
Similar Compounds
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Sources
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