- InChI
- InChI=1S/C20H30O5/c1-2-3-4-5-9-14-24-19(21)16-23-17-20(22)25-15-10-13-18-11-7-6-8-12-18/h6-8,11-12H,2-5,9-10,13-17H2,1H3
- InChI Key
- XGNQEJFTCLKEPA-UHFFFAOYSA-N
- Formula
- C20H30O5
- SMILES
-
CCCCCCCOC(=O)COCC(=O)OCCCc1ccc
cc1 - Molecular Weight1
- 350.45
- 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 | 1.0071 | Relay (1.0) Calculated Property | |
| ΔfG° | -495.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -938.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.693 | Crippen Calculated Property | |
| McVol | 289.650 | ml/mol | McGowan Calculated Property |
| Pc | 1262.85 | kPa | Joback Calculated Property |
| Inp | [3274.00; 3274.00] |
|
|
| Inp | 3274.00 | NIST | |
| Inp | 3274.00 | NIST | |
| Tboil | 663.91 | K | Relay (1.0) Calculated Property |
| Tc | 845.24 | K | Relay (1.0) Calculated Property |
| Tfus | 284.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.086 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [894.51; 972.73] | J/mol×K | [822.74; 1017.86] |
|
| Cp,gas | 894.51 | J/mol×K | 822.74 | Joback Calculated Property |
| Cp,gas | 910.56 | J/mol×K | 855.26 | Joback Calculated Property |
| Cp,gas | 925.39 | J/mol×K | 887.78 | Joback Calculated Property |
| Cp,gas | 939.00 | J/mol×K | 920.30 | Joback Calculated Property |
| Cp,gas | 951.42 | J/mol×K | 952.82 | Joback Calculated Property |
| Cp,gas | 962.65 | J/mol×K | 985.34 | Joback Calculated Property |
| Cp,gas | 972.73 | J/mol×K | 1017.86 | Joback Calculated Property |
| η | [0.0000315; 0.0007536] | Pa×s | [448.47; 822.74] |
|
| η | 0.0007536 | Pa×s | 448.47 | Joback Calculated Property |
| η | 0.0003215 | Pa×s | 510.85 | Joback Calculated Property |
| η | 0.0001651 | Pa×s | 573.23 | Joback Calculated Property |
| η | 0.0000966 | Pa×s | 635.61 | Joback Calculated Property |
| η | 0.0000622 | Pa×s | 697.98 | Joback Calculated Property |
| η | 0.0000431 | Pa×s | 760.36 | Joback Calculated Property |
| η | 0.0000315 | Pa×s | 822.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, heptyl 3-phenylpropyl ester.
Sources
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