- InChI
- InChI=1S/C19H28O5/c1-14(2)8-7-11-23-18(20)12-22-13-19(21)24-17-10-6-5-9-16(17)15(3)4/h5-6,9-10,14-15H,7-8,11-13H2,1-4H3
- InChI Key
- ATAVRMGZAICUFC-UHFFFAOYSA-N
- Formula
- C19H28O5
- SMILES
-
CC(C)CCCOC(=O)COCC(=O)Oc1ccccc
1C(C)C - Molecular Weight1
- 336.42
- 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° | -365.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -842.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.77 | kJ/mol | Joback Calculated Property |
| log10WS | -4.03 | Crippen Calculated Property | |
| logPoct/wat | 3.711 | Crippen Calculated Property | |
| McVol | 275.560 | ml/mol | McGowan Calculated Property |
| Pc | 1440.25 | kPa | Joback Calculated Property |
| Inp | [2774.00; 2774.00] |
|
|
| Inp | 2774.00 | NIST | |
| Inp | 2774.00 | NIST | |
| Tboil | 839.90 | K | Joback Calculated Property |
| Tc | 1044.02 | K | Joback Calculated Property |
| Tfus | 479.38 | K | Joback Calculated Property |
| Vc | 1.046 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [849.22; 925.38] | J/mol×K | [839.90; 1044.02] |
|
| Cp,gas | 849.22 | J/mol×K | 839.90 | Joback Calculated Property |
| Cp,gas | 864.93 | J/mol×K | 873.92 | Joback Calculated Property |
| Cp,gas | 879.43 | J/mol×K | 907.94 | Joback Calculated Property |
| Cp,gas | 892.71 | J/mol×K | 941.96 | Joback Calculated Property |
| Cp,gas | 904.79 | J/mol×K | 975.98 | Joback Calculated Property |
| Cp,gas | 915.68 | J/mol×K | 1010.00 | Joback Calculated Property |
| Cp,gas | 925.38 | J/mol×K | 1044.02 | Joback Calculated Property |
| η | [0.0000398; 0.0005924] | Pa×s | [479.38; 839.90] |
|
| η | 0.0005924 | Pa×s | 479.38 | Joback Calculated Property |
| η | 0.0002940 | Pa×s | 539.47 | Joback Calculated Property |
| η | 0.0001679 | Pa×s | 599.55 | Joback Calculated Property |
| η | 0.0001062 | Pa×s | 659.64 | Joback Calculated Property |
| η | 0.0000725 | Pa×s | 719.73 | Joback Calculated Property |
| η | 0.0000525 | Pa×s | 779.81 | Joback Calculated Property |
| η | 0.0000398 | Pa×s | 839.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isohexyl 2-isopropylphenyl ester.
Sources
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