- InChI
- InChI=1S/C9H16O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h7,10H,3-6H2,1-2H3
- InChI Key
- OLLQYIBTJXUEEX-UHFFFAOYSA-N
- Formula
- C9H16O5
- SMILES
- CCOC(=O)CC(O)CC(=O)OCC
- Molecular Weight1
- 204.22
- Other Names
-
- Diethyl- «beta»-hydroxyglutarate
- Pentanedioic acid, 3-hydroxy-, diethyl ester
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.7778 | Relay (1.0) Calculated Property | |
| ΔfG° | -735.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1066.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.38 | 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 |
| Tboil | 523.91 | K | Relay (1.0) Calculated Property |
| Tc | 709.67 | K | Relay (1.0) Calculated Property |
| Tfus | 290.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.604 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [414.52; 473.63] | J/mol×K | [613.70; 786.85] | 
|
| Cp,gas | 414.52 | J/mol×K | 613.70 | Joback Calculated Property |
| Cp,gas | 425.74 | J/mol×K | 642.56 | Joback Calculated Property |
| Cp,gas | 436.41 | J/mol×K | 671.42 | Joback Calculated Property |
| Cp,gas | 446.54 | J/mol×K | 700.28 | Joback Calculated Property |
| Cp,gas | 456.12 | J/mol×K | 729.14 | Joback Calculated Property |
| Cp,gas | 465.15 | J/mol×K | 757.99 | Joback Calculated Property |
| Cp,gas | 473.63 | J/mol×K | 786.85 | Joback Calculated Property |
| η | [0.0000503; 0.0118823] | Pa×s | [321.67; 613.70] |
|
| η | 0.0118823 | Pa×s | 321.67 | Joback Calculated Property |
| η | 0.0026261 | Pa×s | 370.34 | Joback Calculated Property |
| η | 0.0008242 | Pa×s | 419.01 | Joback Calculated Property |
| η | 0.0003292 | Pa×s | 467.69 | Joback Calculated Property |
| η | 0.0001564 | Pa×s | 516.36 | Joback Calculated Property |
| η | 0.0000844 | Pa×s | 565.03 | Joback Calculated Property |
| η | 0.0000503 | Pa×s | 613.70 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 429.70 | K | 3.10 | NIST |
Similar Compounds
Find more compounds similar to DIETHYL 3-HYDROXYGLUTARATE.
Sources
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