- InChI
- InChI=1S/C16H22O5/c1-2-10-20-15(17)12-19-13-16(18)21-11-6-9-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3
- InChI Key
- BTHGVXMPAVDFEP-UHFFFAOYSA-N
- Formula
- C16H22O5
- SMILES
- CCCOC(=O)COCC(=O)OCCCc1ccccc1
- Molecular Weight1
- 294.34
- 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 | 0.8512 | Relay (1.0) Calculated Property | |
| ΔfG° | -529.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -862.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.132 | Crippen Calculated Property | |
| McVol | 233.290 | ml/mol | McGowan Calculated Property |
| Pc | 1693.51 | kPa | Joback Calculated Property |
| Inp | [2722.00; 2722.00] |
|
|
| Inp | 2722.00 | NIST | |
| Inp | 2722.00 | NIST | |
| Tboil | 635.56 | K | Relay (1.0) Calculated Property |
| Tc | 810.02 | K | Relay (1.0) Calculated Property |
| Tfus | 270.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.871 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [666.08; 742.16] | J/mol×K | [731.22; 927.18] |
|
| Cp,gas | 666.08 | J/mol×K | 731.22 | Joback Calculated Property |
| Cp,gas | 681.38 | J/mol×K | 763.88 | Joback Calculated Property |
| Cp,gas | 695.62 | J/mol×K | 796.54 | Joback Calculated Property |
| Cp,gas | 708.81 | J/mol×K | 829.20 | Joback Calculated Property |
| Cp,gas | 720.96 | J/mol×K | 861.86 | Joback Calculated Property |
| Cp,gas | 732.07 | J/mol×K | 894.52 | Joback Calculated Property |
| Cp,gas | 742.16 | J/mol×K | 927.18 | Joback Calculated Property |
| η | [0.0000565; 0.0012027] | Pa×s | [403.39; 731.22] |
|
| η | 0.0012027 | Pa×s | 403.39 | Joback Calculated Property |
| η | 0.0005330 | Pa×s | 458.03 | Joback Calculated Property |
| η | 0.0002810 | Pa×s | 512.67 | Joback Calculated Property |
| η | 0.0001675 | Pa×s | 567.31 | Joback Calculated Property |
| η | 0.0001094 | Pa×s | 621.94 | Joback Calculated Property |
| η | 0.0000765 | Pa×s | 676.58 | Joback Calculated Property |
| η | 0.0000565 | Pa×s | 731.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 3-phenylpropyl propyl ester.
Sources
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