- InChI
- InChI=1S/C15H20O4/c1-2-18-14(16)9-6-10-15(17)19-12-11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3
- InChI Key
- FPQBZSUSJOFASI-UHFFFAOYSA-N
- Formula
- C15H20O4
- SMILES
- CCOC(=O)CCCC(=O)OCCc1ccccc1
- Molecular Weight1
- 264.32
- 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 | 0.7623 | Relay (1.0) Calculated Property | |
| ΔfG° | -432.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -716.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.506 | Crippen Calculated Property | |
| McVol | 213.330 | ml/mol | McGowan Calculated Property |
| Pc | 1862.72 | kPa | Joback Calculated Property |
| Inp | [2008.00; 2008.00] |
|
|
| Inp | 2008.00 | NIST | |
| Inp | 2008.00 | NIST | |
| Tboil | 608.43 | K | Relay (1.0) Calculated Property |
| Tc | 790.11 | K | Relay (1.0) Calculated Property |
| Tfus | 262.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.802 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [299.11; 690.89] | 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 | 6.16600e+00 | |||
| Coefficient B | 1.24032e+00 | |||
| Coefficient C | -6.34200e-04 | |||
| Coefficient D | 7.86000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 299.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 369.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 431.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 487.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 536.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 579.52 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 616.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 646.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 671.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 690.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020041; 0.0001268] | Pa×s | [369.89; 619.23] |
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 | -1.30678e+01 | |||
| Coefficient B | 2.53570e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 369.89 | |||
| Temperature range, max. | 619.23 | |||
| η | 0.0020041 | Pa×s | 369.89 | Calculated Property |
| η | 0.0012430 | Pa×s | 397.59 | Calculated Property |
| η | 0.0008204 | Pa×s | 425.30 | Calculated Property |
| η | 0.0005698 | Pa×s | 453.00 | Calculated Property |
| η | 0.0004127 | Pa×s | 480.71 | Calculated Property |
| η | 0.0003096 | Pa×s | 508.41 | Calculated Property |
| η | 0.0002392 | Pa×s | 536.11 | Calculated Property |
| η | 0.0001896 | Pa×s | 563.82 | Calculated Property |
| η | 0.0001536 | Pa×s | 591.52 | Calculated Property |
| η | 0.0001268 | Pa×s | 619.23 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl phenethyl ester.
Sources
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