- InChI
- InChI=1S/C19H28O5/c1-2-3-4-8-13-23-18(20)15-22-16-19(21)24-14-9-12-17-10-6-5-7-11-17/h5-7,10-11H,2-4,8-9,12-16H2,1H3
- InChI Key
- YBHKCMJGRHGVQK-UHFFFAOYSA-N
- Formula
- C19H28O5
- SMILES
-
CCCCCCOC(=O)COCC(=O)OCCCc1cccc
c1 - Molecular Weight1
- 336.43
- 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 | 0.9694 | Relay (1.0) Calculated Property | |
| ΔfG° | -504.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -918.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.303 | Crippen Calculated Property | |
| McVol | 275.560 | ml/mol | McGowan Calculated Property |
| Pc | 1353.63 | kPa | Joback Calculated Property |
| Inp | 3148.00 | NIST | |
| Tboil | 656.71 | K | Relay (1.0) Calculated Property |
| Tc | 837.48 | K | Relay (1.0) Calculated Property |
| Tfus | 279.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.032 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [836.10; 914.08] | J/mol×K | [799.86; 994.28] | 
|
| Cp,gas | 836.10 | J/mol×K | 799.86 | Joback Calculated Property |
| Cp,gas | 852.00 | J/mol×K | 832.26 | Joback Calculated Property |
| Cp,gas | 866.72 | J/mol×K | 864.67 | Joback Calculated Property |
| Cp,gas | 880.27 | J/mol×K | 897.07 | Joback Calculated Property |
| Cp,gas | 892.67 | J/mol×K | 929.47 | Joback Calculated Property |
| Cp,gas | 903.94 | J/mol×K | 961.88 | Joback Calculated Property |
| Cp,gas | 914.08 | J/mol×K | 994.28 | Joback Calculated Property |
| η | [0.0000366; 0.0008519] | Pa×s | [437.20; 799.86] |
|
| η | 0.0008519 | Pa×s | 437.20 | Joback Calculated Property |
| η | 0.0003667 | Pa×s | 497.64 | Joback Calculated Property |
| η | 0.0001894 | Pa×s | 558.09 | Joback Calculated Property |
| η | 0.0001114 | Pa×s | 618.53 | Joback Calculated Property |
| η | 0.0000720 | Pa×s | 678.97 | Joback Calculated Property |
| η | 0.0000499 | Pa×s | 739.42 | Joback Calculated Property |
| η | 0.0000366 | Pa×s | 799.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, hexyl 3-phenylpropyl ester.
Sources
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