- InChI
- InChI=1S/C12H22O5/c1-4-10(5-2)7-17-12(14)9-15-8-11(13)16-6-3/h10H,4-9H2,1-3H3
- InChI Key
- GCIWZDOOYQBCMW-UHFFFAOYSA-N
- Formula
- C12H22O5
- SMILES
- CCOC(=O)COCC(=O)OCC(CC)CC
- Molecular Weight1
- 246.30
- 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 | 0.7418 | Relay (1.0) Calculated Property | |
| ΔfG° | -678.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1057.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.546 | Crippen Calculated Property | |
| McVol | 200.690 | ml/mol | McGowan Calculated Property |
| Pc | 1781.84 | kPa | Joback Calculated Property |
| Inp | 2021.00 | NIST | |
| Tboil | 560.42 | K | Relay (1.0) Calculated Property |
| Tc | 722.84 | K | Relay (1.0) Calculated Property |
| Tfus | 224.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.741 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.81; 673.68] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 6.66160e+01 | |||
| Coefficient B | 9.76960e-01 | |||
| Coefficient C | -3.32000e-04 | |||
| Coefficient D | -3.79000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 307.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 369.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 425.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 476.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 522.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 564.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 599.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 630.01 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 654.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 673.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0034553; 0.0001419] | Pa×s | [316.89; 551.28] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.31774e+01 | |||
| Coefficient B | 2.37971e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 316.89 | |||
| Temperature range, max. | 551.28 | |||
| η | 0.0034553 | Pa×s | 316.89 | Calculated Property |
| η | 0.0019535 | Pa×s | 342.93 | Calculated Property |
| η | 0.0011970 | Pa×s | 368.98 | Calculated Property |
| η | 0.0007824 | Pa×s | 395.02 | Calculated Property |
| η | 0.0005390 | Pa×s | 421.06 | Calculated Property |
| η | 0.0003878 | Pa×s | 447.11 | Calculated Property |
| η | 0.0002893 | Pa×s | 473.15 | Calculated Property |
| η | 0.0002226 | Pa×s | 499.19 | Calculated Property |
| η | 0.0001757 | Pa×s | 525.24 | Calculated Property |
| η | 0.0001419 | Pa×s | 551.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, ethyl 2-ethylbutyl ester.
Sources
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