- 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).
- Ip : 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° | -848.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -983.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.39 | 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 | 2790.61 | kPa | Joback Calculated Property |
| Ip | [2115.00; 2171.00] |
|
|
| Ip | 2171.00 | NIST | |
| Ip | 2115.00 | NIST | |
| Ip | 2171.00 | NIST | |
| Tboil | 537.63 | K | Relay (1.0) Calculated Property |
| Tc | 725.96 | K | Relay (1.0) Calculated Property |
| Tfus | 297.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.577 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.46; 485.98] | 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 | 7.55430e+01 | |||
| Coefficient B | 6.30940e-01 | |||
| Coefficient C | -1.44800e-04 | |||
| Coefficient D | -7.57000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 235.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 277.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 316.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 351.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 384.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 412.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 437.54 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 458.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 474.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 485.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0074125; 0.0000879] | Pa×s | [332.63; 550.96] |
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 | -1.60962e+01 | |||
| Coefficient B | 3.72266e+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. | 332.63 | |||
| Temperature range, max. | 550.96 | |||
| η | 0.0074125 | Pa×s | 332.63 | Calculated Property |
| η | 0.0034641 | Pa×s | 356.89 | Calculated Property |
| η | 0.0017835 | Pa×s | 381.15 | Calculated Property |
| η | 0.0009941 | Pa×s | 405.41 | Calculated Property |
| η | 0.0005920 | Pa×s | 429.66 | Calculated Property |
| η | 0.0003726 | Pa×s | 453.92 | Calculated Property |
| η | 0.0002458 | Pa×s | 478.18 | Calculated Property |
| η | 0.0001688 | Pa×s | 502.44 | Calculated Property |
| η | 0.0001200 | Pa×s | 526.70 | Calculated Property |
| η | 0.0000879 | Pa×s | 550.96 | Calculated Property |
Similar Compounds
Find more compounds similar to diethyl 2-hydroxypentanedioate.
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