- InChI
- InChI=1S/C17H24O6/c1-12(2)9-21-16(18)10-20-11-17(19)23-15-8-6-5-7-14(15)22-13(3)4/h5-8,12-13H,9-11H2,1-4H3
- InChI Key
- BTIOTMSPINGVQU-UHFFFAOYSA-N
- Formula
- C17H24O6
- SMILES
-
CC(C)COC(=O)COCC(=O)Oc1ccccc1O
C(C)C - Molecular Weight1
- 324.37
- 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° | -487.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -933.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.73 | kJ/mol | Joback Calculated Property |
| log10WS | -3.07 | Crippen Calculated Property | |
| logPoct/wat | 2.595 | Crippen Calculated Property | |
| McVol | 253.250 | ml/mol | McGowan Calculated Property |
| Pc | 1652.46 | kPa | Joback Calculated Property |
| Inp | [2789.00; 2789.00] |
|
|
| Inp | 2789.00 | NIST | |
| Inp | 2789.00 | NIST | |
| Tboil | 816.56 | K | Joback Calculated Property |
| Tc | 1021.49 | K | Joback Calculated Property |
| Tfus | 479.07 | K | Joback Calculated Property |
| Vc | 0.952 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [762.06; 833.34] | J/mol×K | [816.56; 1021.49] |
|
| Cp,gas | 762.06 | J/mol×K | 816.56 | Joback Calculated Property |
| Cp,gas | 776.94 | J/mol×K | 850.71 | Joback Calculated Property |
| Cp,gas | 790.64 | J/mol×K | 884.87 | Joback Calculated Property |
| Cp,gas | 803.14 | J/mol×K | 919.02 | Joback Calculated Property |
| Cp,gas | 814.43 | J/mol×K | 953.18 | Joback Calculated Property |
| Cp,gas | 824.50 | J/mol×K | 987.33 | Joback Calculated Property |
| Cp,gas | 833.34 | J/mol×K | 1021.49 | Joback Calculated Property |
| η | [0.0000397; 0.0005055] | Pa×s | [479.07; 816.56] |
|
| η | 0.0005055 | Pa×s | 479.07 | Joback Calculated Property |
| η | 0.0002647 | Pa×s | 535.32 | Joback Calculated Property |
| η | 0.0001568 | Pa×s | 591.57 | Joback Calculated Property |
| η | 0.0001017 | Pa×s | 647.82 | Joback Calculated Property |
| η | 0.0000707 | Pa×s | 704.06 | Joback Calculated Property |
| η | 0.0000518 | Pa×s | 760.31 | Joback Calculated Property |
| η | 0.0000397 | Pa×s | 816.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isobutyl 2-isopropoxyphenyl ester.
Sources
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