- InChI
- InChI=1S/C19H20O4/c1-3-12-22-18(20)16-10-6-7-11-17(16)19(21)23-13-15-9-5-4-8-14(15)2/h4-11H,3,12-13H2,1-2H3
- InChI Key
- BYPMUUNQMAUCEL-UHFFFAOYSA-N
- Formula
- C19H20O4
- SMILES
-
CCCOC(=O)c1ccccc1C(=O)OCc1cccc
c1C - Molecular Weight1
- 312.36
- 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 | 0.8254 | Relay (1.0) Calculated Property | |
| ΔfG° | -153.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -564.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.919 | Crippen Calculated Property | |
| McVol | 245.930 | ml/mol | McGowan Calculated Property |
| Pc | 1861.11 | kPa | Joback Calculated Property |
| Inp | [2312.00; 2312.00] |
|
|
| Inp | 2312.00 | NIST | |
| Inp | 2312.00 | NIST | |
| Tboil | 648.51 | K | Relay (1.0) Calculated Property |
| Tc | 890.63 | K | Relay (1.0) Calculated Property |
| Tfus | 297.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.906 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [723.25; 788.81] | J/mol×K | [850.02; 1076.64] |
|
| Cp,gas | 723.25 | J/mol×K | 850.02 | Joback Calculated Property |
| Cp,gas | 737.24 | J/mol×K | 887.79 | Joback Calculated Property |
| Cp,gas | 749.97 | J/mol×K | 925.56 | Joback Calculated Property |
| Cp,gas | 761.46 | J/mol×K | 963.33 | Joback Calculated Property |
| Cp,gas | 771.74 | J/mol×K | 1001.10 | Joback Calculated Property |
| Cp,gas | 780.85 | J/mol×K | 1038.87 | Joback Calculated Property |
| Cp,gas | 788.81 | J/mol×K | 1076.64 | Joback Calculated Property |
| η | [0.0000652; 0.0004955] | Pa×s | [526.09; 850.02] |
|
| η | 0.0004955 | Pa×s | 526.09 | Joback Calculated Property |
| η | 0.0003019 | Pa×s | 580.08 | Joback Calculated Property |
| η | 0.0002002 | Pa×s | 634.07 | Joback Calculated Property |
| η | 0.0001415 | Pa×s | 688.06 | Joback Calculated Property |
| η | 0.0001053 | Pa×s | 742.04 | Joback Calculated Property |
| η | 0.0000815 | Pa×s | 796.03 | Joback Calculated Property |
| η | 0.0000652 | Pa×s | 850.02 | Joback Calculated Property |
Similar Compounds
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Sources
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