- InChI
- InChI=1S/C15H20O5/c1-11(2)8-19-14(16)9-18-10-15(17)20-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3
- InChI Key
- PURCQNJFMDBSHL-UHFFFAOYSA-N
- Formula
- C15H20O5
- SMILES
- Cc1ccccc1OC(=O)COCC(=O)OCC(C)C
- Molecular Weight1
- 280.32
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7955 | Relay (... Calculated Property | |
| ΔfG° | -397.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -873.75 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.68 | kJ/mol | Relay (... Calculated Property |
| IE | 8.41 | eV | Relay (... Calculated Property |
| log10WS | -2.78 | Relay (... Calculated Property | |
| logPoct/wat | 2.116 | Crippen Calculated Property | |
| McVol | 219.200 | ml/mol | McGowan Calculated Property |
| Pc | 1959.60 | kPa | Joback Calculated Property |
| Inp | [2552.00; 2552.00] |
|
|
| Inp | 2552.00 | NIST | |
| Inp | 2552.00 | NIST | |
| Tboil | 609.79 | K | Relay (... Calculated Property |
| Tc | 800.65 | K | Relay (... Calculated Property |
| Tfus | 301.24 | K | Relay (... Calculated Property |
| Vc | 0.808 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [621.47; 694.42] | J/mol×K | [748.82; 954.33] |
|
| Cp,gas | 621.47 | J/mol×K | 748.82 | Joback Calculated Property |
| Cp,gas | 636.13 | J/mol×K | 783.07 | Joback Calculated Property |
| Cp,gas | 649.79 | J/mol×K | 817.32 | Joback Calculated Property |
| Cp,gas | 662.46 | J/mol×K | 851.57 | Joback Calculated Property |
| Cp,gas | 674.12 | J/mol×K | 885.82 | Joback Calculated Property |
| Cp,gas | 684.78 | J/mol×K | 920.08 | Joback Calculated Property |
| Cp,gas | 694.42 | J/mol×K | 954.33 | Joback Calculated Property |
| η | [0.0000748; 0.0007579] | Pa×s | [449.30; 748.82] |
|
| η | 0.0007579 | Pa×s | 449.30 | Joback Calculated Property |
| η | 0.0004248 | Pa×s | 499.22 | Joback Calculated Property |
| η | 0.0002645 | Pa×s | 549.14 | Joback Calculated Property |
| η | 0.0001782 | Pa×s | 599.06 | Joback Calculated Property |
| η | 0.0001276 | Pa×s | 648.98 | Joback Calculated Property |
| η | 0.0000958 | Pa×s | 698.90 | Joback Calculated Property |
| η | 0.0000748 | Pa×s | 748.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isobutyl 2-methylphenyl ester.
Sources
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