- InChI
- InChI=1S/C11H20O5/c1-5-15-9(12)6-14-7-10(13)16-8-11(2,3)4/h5-8H2,1-4H3
- InChI Key
- NAPVEGFHCKMZQK-UHFFFAOYSA-N
- Formula
- C11H20O5
- SMILES
- CCOC(=O)COCC(=O)OCC(C)(C)C
- Molecular Weight1
- 232.28
- 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 | 0.6955 | Relay (1.0) Calculated Property | |
| ΔfG° | -681.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1046.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.155 | Crippen Calculated Property | |
| McVol | 186.600 | ml/mol | McGowan Calculated Property |
| Pc | 1954.41 | kPa | Joback Calculated Property |
| Inp | [1768.00; 1768.00] |
|
|
| Inp | 1768.00 | NIST | |
| Inp | 1768.00 | NIST | |
| Tboil | 540.04 | K | Relay (1.0) Calculated Property |
| Tc | 700.75 | K | Relay (1.0) Calculated Property |
| Tfus | 283.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.710 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [285.45; 623.01] | 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 | 4.47340e+01 | |||
| Coefficient B | 1.00188e+00 | |||
| Coefficient C | -4.46200e-04 | |||
| Coefficient D | 2.26000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 285.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 344.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 397.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 445.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 488.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 525.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 557.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 584.40 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 606.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 623.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032328; 0.0001488] | Pa×s | [323.04; 538.07] |
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 | -1.34371e+01 | |||
| Coefficient B | 2.48827e+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. | 323.04 | |||
| Temperature range, max. | 538.07 | |||
| η | 0.0032328 | Pa×s | 323.04 | Calculated Property |
| η | 0.0019020 | Pa×s | 346.93 | Calculated Property |
| η | 0.0011982 | Pa×s | 370.82 | Calculated Property |
| η | 0.0007982 | Pa×s | 394.72 | Calculated Property |
| η | 0.0005570 | Pa×s | 418.61 | Calculated Property |
| η | 0.0004041 | Pa×s | 442.50 | Calculated Property |
| η | 0.0003029 | Pa×s | 466.39 | Calculated Property |
| η | 0.0002336 | Pa×s | 490.29 | Calculated Property |
| η | 0.0001845 | Pa×s | 514.18 | Calculated Property |
| η | 0.0001488 | Pa×s | 538.07 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, ethyl neopentyl ester.
Sources
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