- InChI
- InChI=1S/C8H14O6/c1-3-13-8(11)6(9)4-5-7(10)14-12-2/h6,9H,3-5H2,1-2H3
- InChI Key
- WTSHYIUOXHQWGT-UHFFFAOYSA-N
- Formula
- C8H14O6
- SMILES
- CCOC(=O)C(O)CCC(=O)OOC
- Molecular Weight1
- 206.19
- 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 | 0.8087 | Relay (1.0) Calculated Property | |
| ΔfG° | -695.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -983.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.205 | Crippen Calculated Property | |
| McVol | 150.200 | ml/mol | McGowan Calculated Property |
| Pc | 3049.04 | kPa | Joback Calculated Property |
| I | [2115.00; 2171.00] |
|
|
| I | 2171.00 | NIST | |
| I | 2115.00 | NIST | |
| I | 2171.00 | NIST | |
| Tboil | 537.63 | K | Relay (1.0) Calculated Property |
| Tc | 719.26 | K | Relay (1.0) Calculated Property |
| Tfus | 300.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.577 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.94; 450.78] | J/mol×K | [649.18; 827.87] |
|
| Cp,gas | 396.94 | J/mol×K | 649.18 | Joback Calculated Property |
| Cp,gas | 407.10 | J/mol×K | 678.96 | Joback Calculated Property |
| Cp,gas | 416.80 | J/mol×K | 708.74 | Joback Calculated Property |
| Cp,gas | 426.03 | J/mol×K | 738.53 | Joback Calculated Property |
| Cp,gas | 434.78 | J/mol×K | 768.31 | Joback Calculated Property |
| Cp,gas | 443.04 | J/mol×K | 798.09 | Joback Calculated Property |
| Cp,gas | 450.78 | J/mol×K | 827.87 | Joback Calculated Property |
| η | [0.0000469; 0.0019190] | Pa×s | [392.29; 649.18] |
|
| η | 0.0019190 | Pa×s | 392.29 | Joback Calculated Property |
| η | 0.0007625 | Pa×s | 435.11 | Joback Calculated Property |
| η | 0.0003574 | Pa×s | 477.92 | Joback Calculated Property |
| η | 0.0001898 | Pa×s | 520.74 | Joback Calculated Property |
| η | 0.0001109 | Pa×s | 563.55 | Joback Calculated Property |
| η | 0.0000700 | Pa×s | 606.37 | Joback Calculated Property |
| η | 0.0000469 | Pa×s | 649.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to diethyl 2-hydroxypentanedioate.
Sources
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