- InChI
- InChI=1S/C9H16O5/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h7,10H,3-6H2,1-2H3
- InChI Key
- DYLHSDCNOUDICA-UHFFFAOYSA-N
- Formula
- C9H16O5
- SMILES
- CCOC(=O)CCC(O)C(=O)OCC
- Molecular Weight1
- 204.22
- Other Names
-
- Diethyl 2-hydroxyglutarate
- 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).
- I : 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 | 0.7817 | Relay (1.0) Calculated Property | |
| ΔfG° | -735.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1039.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.254 | Crippen Calculated Property | |
| McVol | 158.420 | ml/mol | McGowan Calculated Property |
| Pc | 2571.50 | kPa | Joback Calculated Property |
| I | [2195.00; 2195.00] |
|
|
| I | 2195.00 | NIST | |
| I | 2195.00 | NIST | |
| Tboil | 534.34 | K | Relay (1.0) Calculated Property |
| Tc | 720.69 | K | Relay (1.0) Calculated Property |
| Tfus | 280.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.611 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.27; 519.07] | 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 | 4.91340e+01 | |||
| Coefficient B | 7.89140e-01 | |||
| Coefficient C | -3.10200e-04 | |||
| Coefficient D | -9.00000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 241.27 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 289.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 332.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 372.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 407.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 438.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 465.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 487.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 505.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 519.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0118823; 0.0001000] | Pa×s | [321.67; 550.80] |
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 | -1.59188e+01 | |||
| Coefficient B | 3.69473e+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. | 321.67 | |||
| Temperature range, max. | 550.80 | |||
| η | 0.0118823 | Pa×s | 321.67 | Calculated Property |
| η | 0.0051174 | Pa×s | 347.13 | Calculated Property |
| η | 0.0024729 | Pa×s | 372.59 | Calculated Property |
| η | 0.0013115 | Pa×s | 398.05 | Calculated Property |
| η | 0.0007506 | Pa×s | 423.50 | Calculated Property |
| η | 0.0004577 | Pa×s | 448.96 | Calculated Property |
| η | 0.0002943 | Pa×s | 474.42 | Calculated Property |
| η | 0.0001979 | Pa×s | 499.88 | Calculated Property |
| η | 0.0001383 | Pa×s | 525.34 | Calculated Property |
| η | 0.0001000 | Pa×s | 550.80 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxyglutaric acid diethyl ester.
Sources
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