- InChI
- InChI=1S/C17H24O5/c1-2-3-7-11-21-16(18)13-20-14-17(19)22-12-10-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14H2,1H3
- InChI Key
- LTEHSTQGVBWSAM-UHFFFAOYSA-N
- Formula
- C17H24O5
- SMILES
- CCCCCOC(=O)COCC(=O)OCCc1ccccc1
- Molecular Weight1
- 308.37
- 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 | 0.8918 | Relay (1.0) Calculated Property | |
| ΔfG° | -521.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -879.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.522 | Crippen Calculated Property | |
| McVol | 247.380 | ml/mol | McGowan Calculated Property |
| Pc | 1567.23 | kPa | Joback Calculated Property |
| Inp | [2874.00; 2874.00] |
|
|
| Inp | 2874.00 | NIST | |
| Inp | 2874.00 | NIST | |
| Tboil | 638.19 | K | Relay (1.0) Calculated Property |
| Tc | 820.94 | K | Relay (1.0) Calculated Property |
| Tfus | 271.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.923 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [721.81; 798.74] | J/mol×K | [754.10; 948.99] |
|
| Cp,gas | 721.81 | J/mol×K | 754.10 | Joback Calculated Property |
| Cp,gas | 737.34 | J/mol×K | 786.58 | Joback Calculated Property |
| Cp,gas | 751.77 | J/mol×K | 819.06 | Joback Calculated Property |
| Cp,gas | 765.12 | J/mol×K | 851.54 | Joback Calculated Property |
| Cp,gas | 777.39 | J/mol×K | 884.03 | Joback Calculated Property |
| Cp,gas | 788.60 | J/mol×K | 916.51 | Joback Calculated Property |
| Cp,gas | 798.74 | J/mol×K | 948.99 | Joback Calculated Property |
| η | [0.0000490; 0.0010766] | Pa×s | [414.66; 754.10] |
|
| η | 0.0010766 | Pa×s | 414.66 | Joback Calculated Property |
| η | 0.0004723 | Pa×s | 471.23 | Joback Calculated Property |
| η | 0.0002472 | Pa×s | 527.81 | Joback Calculated Property |
| η | 0.0001467 | Pa×s | 584.38 | Joback Calculated Property |
| η | 0.0000954 | Pa×s | 640.95 | Joback Calculated Property |
| η | 0.0000666 | Pa×s | 697.53 | Joback Calculated Property |
| η | 0.0000490 | Pa×s | 754.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, pentyl phenethyl ester.
Sources
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