- InChI
- InChI=1S/C17H24O5/c1-12(2)9-21-16(18)10-20-11-17(19)22-15-8-6-5-7-14(15)13(3)4/h5-8,12-13H,9-11H2,1-4H3
- InChI Key
- PTYOGYPXZKVNHO-UHFFFAOYSA-N
- Formula
- C17H24O5
- SMILES
-
CC(C)COC(=O)COCC(=O)Oc1ccccc1C
(C)C - Molecular Weight1
- 308.37
- 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° | -382.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -801.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.32 | kJ/mol | Joback Calculated Property |
| log10WS | -3.19 | Crippen Calculated Property | |
| logPoct/wat | 2.931 | Crippen Calculated Property | |
| McVol | 247.380 | ml/mol | McGowan Calculated Property |
| Pc | 1675.53 | kPa | Joback Calculated Property |
| Inp | [2514.00; 2514.00] |
|
|
| Inp | 2514.00 | NIST | |
| Inp | 2514.00 | NIST | |
| Tboil | 794.14 | K | Joback Calculated Property |
| Tc | 999.34 | K | Joback Calculated Property |
| Tfus | 456.84 | K | Joback Calculated Property |
| Vc | 0.933 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [733.78; 809.25] | J/mol×K | [794.14; 999.34] |
|
| Cp,gas | 733.78 | J/mol×K | 794.14 | Joback Calculated Property |
| Cp,gas | 749.16 | J/mol×K | 828.34 | Joback Calculated Property |
| Cp,gas | 763.42 | J/mol×K | 862.54 | Joback Calculated Property |
| Cp,gas | 776.55 | J/mol×K | 896.74 | Joback Calculated Property |
| Cp,gas | 788.57 | J/mol×K | 930.94 | Joback Calculated Property |
| Cp,gas | 799.47 | J/mol×K | 965.14 | Joback Calculated Property |
| Cp,gas | 809.25 | J/mol×K | 999.34 | Joback Calculated Property |
| η | [0.0000527; 0.0007302] | Pa×s | [456.84; 794.14] |
|
| η | 0.0007302 | Pa×s | 456.84 | Joback Calculated Property |
| η | 0.0003706 | Pa×s | 513.06 | Joback Calculated Property |
| η | 0.0002151 | Pa×s | 569.27 | Joback Calculated Property |
| η | 0.0001376 | Pa×s | 625.49 | Joback Calculated Property |
| η | 0.0000948 | Pa×s | 681.71 | Joback Calculated Property |
| η | 0.0000691 | Pa×s | 737.92 | Joback Calculated Property |
| η | 0.0000527 | Pa×s | 794.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isobutyl 2-isopropylphenyl ester.
Sources
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