- InChI
- InChI=1S/C17H24O5/c1-4-5-10-21-16(18)11-20-12-17(19)22-15-9-7-6-8-14(15)13(2)3/h6-9,13H,4-5,10-12H2,1-3H3
- InChI Key
- XQAFHZNVEBXBAN-UHFFFAOYSA-N
- Formula
- C17H24O5
- SMILES
-
CCCCOC(=O)COCC(=O)Oc1ccccc1C(C
)C - Molecular Weight1
- 308.37
- 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 | 0.8644 | Relay (... Calculated Property | |
| ΔfG° | -380.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -892.57 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.85 | kJ/mol | Relay (... Calculated Property |
| IE | 8.27 | eV | Relay (... Calculated Property |
| log10WS | -3.51 | Relay (... Calculated Property | |
| logPoct/wat | 3.075 | Crippen Calculated Property | |
| McVol | 247.380 | ml/mol | McGowan Calculated Property |
| Pc | 1664.61 | kPa | Joback Calculated Property |
| Inp | [2572.00; 2572.00] |
|
|
| Inp | 2572.00 | NIST | |
| Inp | 2572.00 | NIST | |
| Tboil | 615.03 | K | Relay (... Calculated Property |
| Tc | 814.18 | K | Relay (... Calculated Property |
| Tfus | 282.63 | K | Relay (... Calculated Property |
| Vc | 0.906 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [733.23; 808.13] | J/mol×K | [794.58; 997.23] |
|
| Cp,gas | 733.23 | J/mol×K | 794.58 | Joback Calculated Property |
| Cp,gas | 748.43 | J/mol×K | 828.36 | Joback Calculated Property |
| Cp,gas | 762.53 | J/mol×K | 862.13 | Joback Calculated Property |
| Cp,gas | 775.55 | J/mol×K | 895.91 | Joback Calculated Property |
| Cp,gas | 787.49 | J/mol×K | 929.68 | Joback Calculated Property |
| Cp,gas | 798.35 | J/mol×K | 963.46 | Joback Calculated Property |
| Cp,gas | 808.13 | J/mol×K | 997.23 | Joback Calculated Property |
| η | [0.0000573; 0.0006330] | Pa×s | [471.84; 794.58] |
|
| η | 0.0006330 | Pa×s | 471.84 | Joback Calculated Property |
| η | 0.0003456 | Pa×s | 525.63 | Joback Calculated Property |
| η | 0.0002112 | Pa×s | 579.42 | Joback Calculated Property |
| η | 0.0001403 | Pa×s | 633.21 | Joback Calculated Property |
| η | 0.0000994 | Pa×s | 687.00 | Joback Calculated Property |
| η | 0.0000740 | Pa×s | 740.79 | Joback Calculated Property |
| η | 0.0000573 | Pa×s | 794.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, butyl 2-isopropylphenyl ester.
Sources
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