- InChI
- InChI=1S/C15H18O6/c1-11(2)8-20-14(17)9-19-10-15(18)21-13-6-4-3-5-12(13)7-16/h3-7,11H,8-10H2,1-2H3
- InChI Key
- XFRVGBCOERRDTE-UHFFFAOYSA-N
- Formula
- C15H18O6
- SMILES
-
CC(C)COC(=O)COCC(=O)Oc1ccccc1C
=O - Molecular Weight1
- 294.30
- 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° | -496.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -840.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.98 | kJ/mol | Joback Calculated Property |
| log10WS | -2.25 | Crippen Calculated Property | |
| logPoct/wat | 1.620 | Crippen Calculated Property | |
| McVol | 220.770 | ml/mol | McGowan Calculated Property |
| Pc | 2094.58 | kPa | Joback Calculated Property |
| Inp | 2648.00 | NIST | |
| Tboil | 797.48 | K | Joback Calculated Property |
| Tc | 1006.12 | K | Joback Calculated Property |
| Tfus | 491.30 | K | Joback Calculated Property |
| Vc | 0.845 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [636.43; 697.75] | J/mol×K | [797.48; 1006.12] | 
|
| Cp,gas | 636.43 | J/mol×K | 797.48 | Joback Calculated Property |
| Cp,gas | 649.24 | J/mol×K | 832.25 | Joback Calculated Property |
| Cp,gas | 661.01 | J/mol×K | 867.03 | Joback Calculated Property |
| Cp,gas | 671.76 | J/mol×K | 901.80 | Joback Calculated Property |
| Cp,gas | 681.46 | J/mol×K | 936.58 | Joback Calculated Property |
| Cp,gas | 690.13 | J/mol×K | 971.35 | Joback Calculated Property |
| Cp,gas | 697.75 | J/mol×K | 1006.12 | Joback Calculated Property |
| η | [0.0000814; 0.0007222] | Pa×s | [491.30; 797.48] |
|
| η | 0.0007222 | Pa×s | 491.30 | Joback Calculated Property |
| η | 0.0004229 | Pa×s | 542.33 | Joback Calculated Property |
| η | 0.0002715 | Pa×s | 593.36 | Joback Calculated Property |
| η | 0.0001870 | Pa×s | 644.39 | Joback Calculated Property |
| η | 0.0001360 | Pa×s | 695.42 | Joback Calculated Property |
| η | 0.0001034 | Pa×s | 746.45 | Joback Calculated Property |
| η | 0.0000814 | Pa×s | 797.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 2-formylphenyl isobutyl ester.
Sources
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