- InChI
- InChI=1S/C9H16O4/c1-3-12-8(10)6-5-7-9(11)13-4-2/h3-7H2,1-2H3
- InChI Key
- OUWSNHWQZPEFEX-UHFFFAOYSA-N
- Formula
- C9H16O4
- SMILES
- CCOC(=O)CCCC(=O)OCC
- Molecular Weight1
- 188.22
- CAS
- 818-38-2
- Other Names
-
- DIETHYL GLUTARATE
- DIETHYL PENTANEDIOATE
- Ethyl glutarate
- Glutaric acid, diethyl ester
- Propane-1,3-dicarboxylic acid diethyl ester
- diethyl pentandioate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -442.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -718.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.94 | kJ/mol | Joback Calculated Property |
| log10WS | -1.33 | Aq. Sol... | |
| logPoct/wat | 1.283 | Crippen Calculated Property | |
| McVol | 152.550 | ml/mol | McGowan Calculated Property |
| Pc | 2525.19 | kPa | Joback Calculated Property |
| Inp | [1247.00; 1292.00] |
|
|
| Inp | 1280.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1292.00 | NIST | |
| Inp | 1282.10 | NIST | |
| Inp | 1281.00 | NIST | |
| Inp | 1284.00 | NIST | |
| Inp | Outlier 1247.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1284.00 | NIST | |
| Inp | 1279.00 | NIST | |
| Inp | 1281.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1292.00 | NIST | |
| Inp | 1280.00 | NIST | |
| I | [1763.00; 1780.00] |
|
|
| I | 1780.00 | NIST | |
| I | 1768.00 | NIST | |
| I | 1774.00 | NIST | |
| I | 1768.00 | NIST | |
| I | 1780.00 | NIST | |
| I | 1763.00 | NIST | |
| I | 1774.00 | NIST | |
| I | 1780.00 | NIST | |
| I | 1774.00 | NIST | |
| I | 1768.00 | NIST | |
| Tboil | [506.83; 510.20] | K |
|
| Tboil | 506.83 | K | KDB |
| Tboil | 509.60 | K | Liquid-... |
| Tboil | 509.60 | K | (Liquid... |
| Tboil | 509.65 | K | Liquid-... |
| Tboil | 510.20 | K | NIST |
| Tc | 682.00 | K | Vapor-l... |
| Tfus | 249.05 | K | Aq. Sol... |
| Vc | 0.588 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.05; 435.00] | J/mol×K | [557.90; 739.72] |
|
| Cp,gas | 368.05 | J/mol×K | 557.90 | Joback Calculated Property |
| Cp,gas | 380.43 | J/mol×K | 588.20 | Joback Calculated Property |
| Cp,gas | 392.33 | J/mol×K | 618.51 | Joback Calculated Property |
| Cp,gas | 403.74 | J/mol×K | 648.81 | Joback Calculated Property |
| Cp,gas | 414.66 | J/mol×K | 679.11 | Joback Calculated Property |
| Cp,gas | 425.08 | J/mol×K | 709.42 | Joback Calculated Property |
| Cp,gas | 435.00 | J/mol×K | 739.72 | Joback Calculated Property |
| η | [0.0002089; 0.0019834] | Pa×s | [335.51; 557.90] |
|
| η | 0.0019834 | Pa×s | 335.51 | Joback Calculated Property |
| η | 0.0011310 | Pa×s | 372.57 | Joback Calculated Property |
| η | 0.0007139 | Pa×s | 409.64 | Joback Calculated Property |
| η | 0.0004864 | Pa×s | 446.70 | Joback Calculated Property |
| η | 0.0003515 | Pa×s | 483.77 | Joback Calculated Property |
| η | 0.0002660 | Pa×s | 520.84 | Joback Calculated Property |
| η | 0.0002089 | Pa×s | 557.90 | Joback Calculated Property |
| ΔvapH | 55.70 | kJ/mol | 424.00 | NIST |
| Pvap | [3.52e-03; 0.17] | kPa | [298.30; 347.90] |
|
| Pvap | 3.52e-03 | kPa | 298.30 | Vapor P... |
| Pvap | 5.75e-03 | kPa | 303.40 | Vapor P... |
| Pvap | 8.77e-03 | kPa | 308.60 | Vapor P... |
| Pvap | 0.01 | kPa | 311.20 | Vapor P... |
| Pvap | 0.01 | kPa | 313.50 | Vapor P... |
| Pvap | 0.02 | kPa | 316.20 | Vapor P... |
| Pvap | 0.02 | kPa | 318.20 | Vapor P... |
| Pvap | 0.02 | kPa | 318.50 | Vapor P... |
| Pvap | 0.03 | kPa | 322.20 | Vapor P... |
| Pvap | 0.03 | kPa | 323.30 | Vapor P... |
| Pvap | 0.04 | kPa | 328.20 | Vapor P... |
| Pvap | 0.06 | kPa | 333.20 | Vapor P... |
| Pvap | 0.09 | kPa | 338.20 | Vapor P... |
| Pvap | 0.12 | kPa | 343.20 | Vapor P... |
| Pvap | 0.17 | kPa | 347.90 | Vapor P... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [382.63; 534.27] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.76176e+01 | |||
| Coefficient B | -6.43695e+03 | |||
| Coefficient C | -1.11990e+01 | |||
| Temperature range, min. | 382.63 | |||
| Temperature range, max. | 534.27 | |||
| Pvap | 1.33 | kPa | 382.63 | Calculated Property |
| Pvap | 2.83 | kPa | 399.48 | Calculated Property |
| Pvap | 5.63 | kPa | 416.33 | Calculated Property |
| Pvap | 10.63 | kPa | 433.18 | Calculated Property |
| Pvap | 19.09 | kPa | 450.03 | Calculated Property |
| Pvap | 32.83 | kPa | 466.87 | Calculated Property |
| Pvap | 54.33 | kPa | 483.72 | Calculated Property |
| Pvap | 86.85 | kPa | 500.57 | Calculated Property |
| Pvap | 134.55 | kPa | 517.42 | Calculated Property |
| Pvap | 202.67 | kPa | 534.27 | Calculated Property |
| Pvap | [0.13; 101.31] | kPa | [338.15; 510.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 2.84059e+01 | |||
| Coefficient B | -7.19382e+03 | |||
| Coefficient C | -1.58556e+00 | |||
| Coefficient D | 7.65275e-07 | |||
| Temperature range, min. | 338.15 | |||
| Temperature range, max. | 510.15 | |||
| Pvap | 0.13 | kPa | 338.15 | Calculated Property |
| Pvap | 0.39 | kPa | 357.26 | Calculated Property |
| Pvap | 1.00 | kPa | 376.37 | Calculated Property |
| Pvap | 2.35 | kPa | 395.48 | Calculated Property |
| Pvap | 5.10 | kPa | 414.59 | Calculated Property |
| Pvap | 10.33 | kPa | 433.71 | Calculated Property |
| Pvap | 19.68 | kPa | 452.82 | Calculated Property |
| Pvap | 35.55 | kPa | 471.93 | Calculated Property |
| Pvap | 61.27 | kPa | 491.04 | Calculated Property |
| Pvap | 101.31 | kPa | 510.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanedioic acid, diethyl ester.
Mixtures
- Butanoic acid + Pentanedioic acid, diethyl ester + Water
- Pentanedioic acid, diethyl ester + Water
- Pentanedioic acid, diethyl ester + Propanoic acid + Water
- Pentanedioic acid, diethyl ester + Acetic acid + Water
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Liquid-liquid equilibria of (water + butyric acid + diethyl succinate or diethyl glutarate or diethyl adipate) ternary systems
- (Liquid + liquid) equilibria of (water + propionic acid + diethyl succinate or diethyl glutarate or diethyl adipate) ternary systems
- Vapor-liquid critical temperatures and pressures of dicarboxylic acid diethyl esters
- Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
- Liquid-Liquid Equilibria of (Water + Acetic Acid + Diethyl Succinate or Diethyl Glutarate or Diethyl Adipate) Ternary Systems
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
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