- InChI
- InChI=1S/C18H26O5/c1-2-3-7-12-22-17(19)14-21-15-18(20)23-13-8-11-16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-15H2,1H3
- InChI Key
- FRZBDHRIYPBUPL-UHFFFAOYSA-N
- Formula
- C18H26O5
- SMILES
-
CCCCCOC(=O)COCC(=O)OCCCc1ccccc
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 | 0.9314 | Relay (1.0) Calculated Property | |
| ΔfG° | -359.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -900.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.912 | Crippen Calculated Property | |
| McVol | 261.470 | ml/mol | McGowan Calculated Property |
| Pc | 1550.00 | kPa | Joback Calculated Property |
| Inp | [3011.00; 3011.00] |
|
|
| Inp | 3011.00 | NIST | |
| Inp | 3011.00 | NIST | |
| Tboil | 649.29 | K | Relay (1.0) Calculated Property |
| Tc | 826.79 | K | Relay (1.0) Calculated Property |
| Tfus | 277.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.976 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [790.76; 866.47] | J/mol×K | [812.92; 1012.09] |
|
| Cp,gas | 790.76 | J/mol×K | 812.92 | Joback Calculated Property |
| Cp,gas | 806.10 | J/mol×K | 846.11 | Joback Calculated Property |
| Cp,gas | 820.33 | J/mol×K | 879.31 | Joback Calculated Property |
| Cp,gas | 833.48 | J/mol×K | 912.50 | Joback Calculated Property |
| Cp,gas | 845.54 | J/mol×K | 945.70 | Joback Calculated Property |
| Cp,gas | 856.54 | J/mol×K | 978.89 | Joback Calculated Property |
| Cp,gas | 866.47 | J/mol×K | 1012.09 | Joback Calculated Property |
| η | [0.0000539; 0.0005959] | Pa×s | [485.59; 812.92] |
|
| η | 0.0005959 | Pa×s | 485.59 | Joback Calculated Property |
| η | 0.0003262 | Pa×s | 540.14 | Joback Calculated Property |
| η | 0.0001994 | Pa×s | 594.70 | Joback Calculated Property |
| η | 0.0001324 | Pa×s | 649.25 | Joback Calculated Property |
| η | 0.0000937 | Pa×s | 703.81 | Joback Calculated Property |
| η | 0.0000697 | Pa×s | 758.37 | Joback Calculated Property |
| η | 0.0000539 | Pa×s | 812.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, pentyl 3-phenylpropyl ester.
Sources
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