- 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
- 336.42
- 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° | -351.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -820.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.89 | kJ/mol | Joback Calculated Property |
| log10WS | -3.69 | Crippen Calculated Property | |
| logPoct/wat | 3.302 | Crippen Calculated Property | |
| McVol | 275.560 | ml/mol | McGowan Calculated Property |
| Pc | 1439.16 | kPa | Joback Calculated Property |
| Inp | 3148.00 | NIST | |
| Tboil | 835.80 | K | Joback Calculated Property |
| Tc | 1035.35 | K | Joback Calculated Property |
| Tfus | 496.86 | K | Joback Calculated Property |
| Vc | 1.058 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [848.89; 925.15] | J/mol×K | [835.80; 1035.35] | 
|
| Cp,gas | 848.89 | J/mol×K | 835.80 | Joback Calculated Property |
| Cp,gas | 864.43 | J/mol×K | 869.06 | Joback Calculated Property |
| Cp,gas | 878.82 | J/mol×K | 902.32 | Joback Calculated Property |
| Cp,gas | 892.08 | J/mol×K | 935.58 | Joback Calculated Property |
| Cp,gas | 904.21 | J/mol×K | 968.84 | Joback Calculated Property |
| Cp,gas | 915.23 | J/mol×K | 1002.09 | Joback Calculated Property |
| Cp,gas | 925.15 | J/mol×K | 1035.35 | Joback Calculated Property |
| η | [0.0000468; 0.0005380] | Pa×s | [496.86; 835.80] |
|
| η | 0.0005380 | Pa×s | 496.86 | Joback Calculated Property |
| η | 0.0002909 | Pa×s | 553.35 | Joback Calculated Property |
| η | 0.0001763 | Pa×s | 609.84 | Joback Calculated Property |
| η | 0.0001163 | Pa×s | 666.33 | Joback Calculated Property |
| η | 0.0000819 | Pa×s | 722.82 | Joback Calculated Property |
| η | 0.0000607 | Pa×s | 779.31 | Joback Calculated Property |
| η | 0.0000468 | Pa×s | 835.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, hexyl 3-phenylpropyl ester.
Sources
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