- InChI
- InChI=1S/C16H22O5/c1-13(2)10-21-16(18)12-19-11-15(17)20-9-8-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
- InChI Key
- FFMVZFKFLQNJKN-UHFFFAOYSA-N
- Formula
- C16H22O5
- SMILES
-
CC(C)COC(=O)COCC(=O)OCCc1ccccc
1 - Molecular Weight1
- 294.34
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -379.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -764.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.82 | kJ/mol | Joback Calculated Property |
| log10WS | -2.19 | Crippen Calculated Property | |
| logPoct/wat | 1.988 | Crippen Calculated Property | |
| McVol | 233.290 | ml/mol | McGowan Calculated Property |
| Pc | 1826.28 | kPa | Joback Calculated Property |
| Inp | [2671.00; 2671.00] |
|
|
| Inp | 2671.00 | NIST | |
| Inp | 2671.00 | NIST | |
| Tboil | 766.72 | K | Joback Calculated Property |
| Tc | 969.72 | K | Joback Calculated Property |
| Tfus | 448.05 | K | Joback Calculated Property |
| Vc | 0.883 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [677.69; 752.38] | J/mol×K | [766.72; 969.72] |
|
| Cp,gas | 677.69 | J/mol×K | 766.72 | Joback Calculated Property |
| Cp,gas | 692.74 | J/mol×K | 800.55 | Joback Calculated Property |
| Cp,gas | 706.75 | J/mol×K | 834.39 | Joback Calculated Property |
| Cp,gas | 719.71 | J/mol×K | 868.22 | Joback Calculated Property |
| Cp,gas | 731.63 | J/mol×K | 902.05 | Joback Calculated Property |
| Cp,gas | 742.52 | J/mol×K | 935.89 | Joback Calculated Property |
| Cp,gas | 752.38 | J/mol×K | 969.72 | Joback Calculated Property |
| η | [0.0000653; 0.0008347] | Pa×s | [448.05; 766.72] |
|
| η | 0.0008347 | Pa×s | 448.05 | Joback Calculated Property |
| η | 0.0004359 | Pa×s | 501.16 | Joback Calculated Property |
| η | 0.0002578 | Pa×s | 554.27 | Joback Calculated Property |
| η | 0.0001671 | Pa×s | 607.38 | Joback Calculated Property |
| η | 0.0001162 | Pa×s | 660.50 | Joback Calculated Property |
| η | 0.0000852 | Pa×s | 713.61 | Joback Calculated Property |
| η | 0.0000653 | Pa×s | 766.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isobutyl phenethyl ester.
Sources
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