- 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° | -237.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -821.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.22 | 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 | 1356.63 | 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 | 829.01 | K | Relay (1.0) Calculated Property |
| Tfus | 278.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.069 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [878.33; 959.28] | J/mol×K | [836.26; 1035.40] |
|
| Cp,gas | 878.33 | J/mol×K | 836.26 | Joback Calculated Property |
| Cp,gas | 894.55 | J/mol×K | 869.45 | Joback Calculated Property |
| Cp,gas | 909.64 | J/mol×K | 902.64 | Joback Calculated Property |
| Cp,gas | 923.63 | J/mol×K | 935.83 | Joback Calculated Property |
| Cp,gas | 936.55 | J/mol×K | 969.02 | Joback Calculated Property |
| Cp,gas | 948.42 | J/mol×K | 1002.21 | Joback Calculated Property |
| Cp,gas | 959.28 | J/mol×K | 1035.40 | Joback Calculated Property |
| η | [0.0000542; 0.0006973] | Pa×s | [485.90; 836.26] |
|
| η | 0.0006973 | Pa×s | 485.90 | Joback Calculated Property |
| η | 0.0003625 | Pa×s | 544.29 | Joback Calculated Property |
| η | 0.0002139 | Pa×s | 602.69 | Joback Calculated Property |
| η | 0.0001385 | Pa×s | 661.08 | Joback Calculated Property |
| η | 0.0000963 | Pa×s | 719.47 | Joback Calculated Property |
| η | 0.0000707 | Pa×s | 777.87 | Joback Calculated Property |
| η | 0.0000542 | Pa×s | 836.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hexyl 3-phenylpropyl ester.
Sources
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