- InChI
- InChI=1S/C14H18O5/c1-2-17-10-11-18-13(15)8-9-14(16)19-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
- InChI Key
- LJQLYQQYULQRQX-UHFFFAOYSA-N
- Formula
- C14H18O5
- SMILES
- CCOCCOC(=O)CCC(=O)Oc1ccccc1
- Molecular Weight1
- 266.29
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -817.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.952 | Crippen Calculated Property | |
| McVol | 205.110 | ml/mol | McGowan Calculated Property |
| Pc | 1996.55 | kPa | Joback Calculated Property |
| Inp | [1990.00; 1990.00] |
|
|
| Inp | 1990.00 | NIST | |
| Inp | 1990.00 | NIST | |
| Tboil | 595.28 | K | Relay (1.0) Calculated Property |
| Tc | 791.70 | K | Relay (1.0) Calculated Property |
| Tfus | 285.80 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [293.30; 657.80] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.25750e+01 | |||
| Coefficient B | 1.08212e+00 | |||
| Coefficient C | -4.68800e-04 | |||
| Coefficient D | 1.19000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 293.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 357.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 415.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 467.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 513.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 553.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 588.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 617.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 640.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 657.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014795; 0.0001106] | Pa×s | [380.85; 619.50] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.32474e+01 | |||
| Coefficient B | 2.56363e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 380.85 | |||
| Temperature range, max. | 619.50 | |||
| η | 0.0014795 | Pa×s | 380.85 | Calculated Property |
| η | 0.0009546 | Pa×s | 407.37 | Calculated Property |
| η | 0.0006498 | Pa×s | 433.88 | Calculated Property |
| η | 0.0004624 | Pa×s | 460.40 | Calculated Property |
| η | 0.0003414 | Pa×s | 486.92 | Calculated Property |
| η | 0.0002601 | Pa×s | 513.43 | Calculated Property |
| η | 0.0002036 | Pa×s | 539.95 | Calculated Property |
| η | 0.0001630 | Pa×s | 566.46 | Calculated Property |
| η | 0.0001331 | Pa×s | 592.98 | Calculated Property |
| η | 0.0001106 | Pa×s | 619.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, phenyl 2-ethoxyethyl ester.
Sources
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