- InChI
- InChI=1S/C16H22O5/c1-2-10-20-15(17)12-19-13-16(18)21-11-6-9-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3
- InChI Key
- BTHGVXMPAVDFEP-UHFFFAOYSA-N
- Formula
- C16H22O5
- SMILES
- CCCOC(=O)COCC(=O)OCCCc1ccccc1
- Molecular Weight1
- 294.34
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -376.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -758.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.21 | kJ/mol | Joback Calculated Property |
| log10WS | -2.44 | Crippen Calculated Property | |
| logPoct/wat | 2.132 | Crippen Calculated Property | |
| McVol | 233.290 | ml/mol | McGowan Calculated Property |
| Pc | 1813.86 | kPa | Joback Calculated Property |
| Inp | [2722.00; 2722.00] |
|
|
| Inp | 2722.00 | NIST | |
| Inp | 2722.00 | NIST | |
| Tboil | 767.16 | K | Joback Calculated Property |
| Tc | 967.46 | K | Joback Calculated Property |
| Tfus | 463.05 | K | Joback Calculated Property |
| Vc | 0.889 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [677.14; 751.15] | J/mol×K | [767.16; 967.46] |
|
| Cp,gas | 677.14 | J/mol×K | 767.16 | Joback Calculated Property |
| Cp,gas | 691.99 | J/mol×K | 800.54 | Joback Calculated Property |
| Cp,gas | 705.82 | J/mol×K | 833.93 | Joback Calculated Property |
| Cp,gas | 718.66 | J/mol×K | 867.31 | Joback Calculated Property |
| Cp,gas | 730.48 | J/mol×K | 900.69 | Joback Calculated Property |
| Cp,gas | 741.32 | J/mol×K | 934.07 | Joback Calculated Property |
| Cp,gas | 751.15 | J/mol×K | 967.46 | Joback Calculated Property |
| η | [0.0000709; 0.0007211] | Pa×s | [463.05; 767.16] |
|
| η | 0.0007211 | Pa×s | 463.05 | Joback Calculated Property |
| η | 0.0004049 | Pa×s | 513.73 | Joback Calculated Property |
| η | 0.0002521 | Pa×s | 564.42 | Joback Calculated Property |
| η | 0.0001698 | Pa×s | 615.11 | Joback Calculated Property |
| η | 0.0001214 | Pa×s | 665.79 | Joback Calculated Property |
| η | 0.0000910 | Pa×s | 716.47 | Joback Calculated Property |
| η | 0.0000709 | Pa×s | 767.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 3-phenylpropyl propyl ester.
Sources
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