- InChI
- InChI=1S/C16H22O4/c1-2-19-15(17)11-6-12-16(18)20-13-7-10-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3
- InChI Key
- MXNOPCSVUFIKOC-UHFFFAOYSA-N
- Formula
- C16H22O4
- SMILES
- CCOC(=O)CCCC(=O)OCCCc1ccccc1
- Molecular Weight1
- 278.34
- 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 | 0.8019 | Relay (1.0) Calculated Property | |
| ΔfG° | -424.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -740.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.12 | 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 | [2128.00; 2128.00] |
|
|
| Inp | 2128.00 | NIST | |
| Inp | 2128.00 | NIST | |
| Tboil | 620.18 | K | Relay (1.0) Calculated Property |
| Tc | 798.96 | K | Relay (1.0) Calculated Property |
| Tfus | 266.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.856 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [638.01; 716.99] | J/mol×K | [708.80; 905.55] |
|
| Cp,gas | 638.01 | J/mol×K | 708.80 | Joback Calculated Property |
| Cp,gas | 653.73 | J/mol×K | 741.59 | Joback Calculated Property |
| Cp,gas | 668.40 | J/mol×K | 774.38 | Joback Calculated Property |
| Cp,gas | 682.04 | J/mol×K | 807.17 | Joback Calculated Property |
| Cp,gas | 694.68 | J/mol×K | 839.97 | Joback Calculated Property |
| Cp,gas | 706.32 | J/mol×K | 872.76 | Joback Calculated Property |
| Cp,gas | 716.99 | J/mol×K | 905.55 | Joback Calculated Property |
| η | [0.0000745; 0.0018081] | Pa×s | [381.16; 708.80] |
|
| η | 0.0018081 | Pa×s | 381.16 | Joback Calculated Property |
| η | 0.0007616 | Pa×s | 435.77 | Joback Calculated Property |
| η | 0.0003889 | Pa×s | 490.37 | Joback Calculated Property |
| η | 0.0002272 | Pa×s | 544.98 | Joback Calculated Property |
| η | 0.0001464 | Pa×s | 599.59 | Joback Calculated Property |
| η | 0.0001015 | Pa×s | 654.19 | Joback Calculated Property |
| η | 0.0000745 | Pa×s | 708.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl 3-phenylpropyl ester.
Sources
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