- InChI
- InChI=1S/C16H22O4/c1-2-12-19-15(17)9-6-10-16(18)20-13-11-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3
- InChI Key
- GQILUCFUUHJKFB-UHFFFAOYSA-N
- Formula
- C16H22O4
- SMILES
- CCCOC(=O)CCCC(=O)OCCc1ccccc1
- Molecular Weight1
- 278.35
- 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 | 0.8101 | Relay (1.0) Calculated Property | |
| ΔfG° | -424.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -736.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.896 | Crippen Calculated Property | |
| McVol | 227.420 | ml/mol | McGowan Calculated Property |
| Pc | 1717.45 | kPa | Joback Calculated Property |
| Inp | [2112.00; 2112.00] |
|
|
| Inp | 2112.00 | NIST | |
| Inp | 2112.00 | NIST | |
| Tboil | 617.82 | K | Relay (1.0) Calculated Property |
| Tc | 795.79 | K | Relay (1.0) Calculated Property |
| Tfus | 262.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.857 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.32; 742.48] | 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 | 5.25700e+00 | |||
| Coefficient B | 1.33532e+00 | |||
| Coefficient C | -6.88600e-04 | |||
| Coefficient D | 9.05000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 320.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 395.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 462.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 522.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 575.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 621.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 661.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 694.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 721.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 742.48 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018081; 0.0001155] | Pa×s | [381.16; 633.88] |
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 | -1.32151e+01 | |||
| Coefficient B | 2.62986e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 381.16 | |||
| Temperature range, max. | 633.88 | |||
| η | 0.0018081 | Pa×s | 381.16 | Calculated Property |
| η | 0.0011262 | Pa×s | 409.24 | Calculated Property |
| η | 0.0007454 | Pa×s | 437.32 | Calculated Property |
| η | 0.0005186 | Pa×s | 465.40 | Calculated Property |
| η | 0.0003760 | Pa×s | 493.48 | Calculated Property |
| η | 0.0002822 | Pa×s | 521.56 | Calculated Property |
| η | 0.0002181 | Pa×s | 549.64 | Calculated Property |
| η | 0.0001729 | Pa×s | 577.72 | Calculated Property |
| η | 0.0001400 | Pa×s | 605.80 | Calculated Property |
| η | 0.0001155 | Pa×s | 633.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, phenethyl propyl ester.
Sources
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