- InChI
- InChI=1S/C20H30O4/c1-2-3-4-8-16-23-19(21)14-9-15-20(22)24-17-10-13-18-11-6-5-7-12-18/h5-7,11-12H,2-4,8-10,13-17H2,1H3
- InChI Key
- PWUCASNGNDJJOM-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CCCCCCOC(=O)CCCC(=O)OCCCc1cccc
c1 - Molecular Weight1
- 334.45
- 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 | 0.9652 | Relay (1.0) Calculated Property | |
| ΔfG° | -390.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -821.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.456 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Pc | 1278.25 | kPa | Joback Calculated Property |
| Inp | [2544.00; 2544.00] |
|
|
| Inp | 2544.00 | NIST | |
| Inp | 2544.00 | NIST | |
| Tboil | 650.33 | K | Relay (1.0) Calculated Property |
| Tc | 831.31 | K | Relay (1.0) Calculated Property |
| Tfus | 275.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.071 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [864.79; 947.01] | J/mol×K | [800.32; 994.28] |
|
| Cp,gas | 864.79 | J/mol×K | 800.32 | Joback Calculated Property |
| Cp,gas | 881.33 | J/mol×K | 832.65 | Joback Calculated Property |
| Cp,gas | 896.70 | J/mol×K | 864.97 | Joback Calculated Property |
| Cp,gas | 910.92 | J/mol×K | 897.30 | Joback Calculated Property |
| Cp,gas | 924.03 | J/mol×K | 929.63 | Joback Calculated Property |
| Cp,gas | 936.05 | J/mol×K | 961.95 | Joback Calculated Property |
| Cp,gas | 947.01 | J/mol×K | 994.28 | Joback Calculated Property |
| η | [0.0000423; 0.0011432] | Pa×s | [426.24; 800.32] |
|
| η | 0.0011432 | Pa×s | 426.24 | Joback Calculated Property |
| η | 0.0004647 | Pa×s | 488.59 | Joback Calculated Property |
| η | 0.0002316 | Pa×s | 550.93 | Joback Calculated Property |
| η | 0.0001330 | Pa×s | 613.28 | Joback Calculated Property |
| η | 0.0000846 | Pa×s | 675.63 | Joback Calculated Property |
| η | 0.0000581 | Pa×s | 737.97 | Joback Calculated Property |
| η | 0.0000423 | Pa×s | 800.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hexyl 3-phenylpropyl ester.
Sources
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