- InChI
- InChI=1S/C18H26O5/c1-2-3-4-8-12-22-17(19)14-21-15-18(20)23-13-11-16-9-6-5-7-10-16/h5-7,9-10H,2-4,8,11-15H2,1H3
- InChI Key
- PFWMKOFQXJJMDG-UHFFFAOYSA-N
- Formula
- C18H26O5
- SMILES
-
CCCCCCOC(=O)COCC(=O)OCCc1ccccc
1 - Molecular Weight1
- 322.40
- 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 | 0.9309 | Relay (1.0) Calculated Property | |
| ΔfG° | -512.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -897.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.912 | Crippen Calculated Property | |
| McVol | 261.470 | ml/mol | McGowan Calculated Property |
| Pc | 1454.57 | kPa | Joback Calculated Property |
| Inp | [3015.00; 3015.00] |
|
|
| Inp | 3015.00 | NIST | |
| Inp | 3015.00 | NIST | |
| Tboil | 645.81 | K | Relay (1.0) Calculated Property |
| Tc | 829.78 | K | Relay (1.0) Calculated Property |
| Tfus | 274.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.978 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [778.51; 856.06] | J/mol×K | [776.98; 971.34] |
|
| Cp,gas | 778.51 | J/mol×K | 776.98 | Joback Calculated Property |
| Cp,gas | 794.24 | J/mol×K | 809.37 | Joback Calculated Property |
| Cp,gas | 808.83 | J/mol×K | 841.77 | Joback Calculated Property |
| Cp,gas | 822.29 | J/mol×K | 874.16 | Joback Calculated Property |
| Cp,gas | 834.65 | J/mol×K | 906.55 | Joback Calculated Property |
| Cp,gas | 845.90 | J/mol×K | 938.95 | Joback Calculated Property |
| Cp,gas | 856.06 | J/mol×K | 971.34 | Joback Calculated Property |
| η | [0.0000424; 0.0009596] | Pa×s | [425.93; 776.98] |
|
| η | 0.0009596 | Pa×s | 425.93 | Joback Calculated Property |
| η | 0.0004169 | Pa×s | 484.44 | Joback Calculated Property |
| η | 0.0002167 | Pa×s | 542.95 | Joback Calculated Property |
| η | 0.0001280 | Pa×s | 601.45 | Joback Calculated Property |
| η | 0.0000830 | Pa×s | 659.96 | Joback Calculated Property |
| η | 0.0000577 | Pa×s | 718.47 | Joback Calculated Property |
| η | 0.0000424 | Pa×s | 776.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, hexyl phenethyl ester.
Sources
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