- InChI
- InChI=1S/C12H22O4/c1-3-15-11(13)9-7-5-6-8-10-12(14)16-4-2/h3-10H2,1-2H3
- InChI Key
- PEUGOJXLBSIJQS-UHFFFAOYSA-N
- Formula
- C12H22O4
- SMILES
- CCOC(=O)CCCCCCC(=O)OCC
- Molecular Weight1
- 230.30
- CAS
- 2050-23-9
- Other Names
-
- 1,8-octanedioic acid, diethyl ester
- Ethyl suberate
- Octanedioic acid, diethyl ester
- diethyl 1,8-octanedioate
- diethyl octanedioate
- suberic acid, 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).
- 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 |
|---|---|---|---|
| ω | 0.7566 | Relay (1.0) Calculated Property | |
| ΔfG° | -570.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -924.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.53 | Aq. Solubility Prediction | |
| logPoct/wat | 2.453 | Crippen Calculated Property | |
| McVol | 194.820 | ml/mol | McGowan Calculated Property |
| Pc | 1795.46 | kPa | Joback Calculated Property |
| Inp | [1552.00; 1586.00] |
|
|
| Inp | 1584.00 | NIST | |
| Inp | 1586.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1583.00 | NIST | |
| Inp | 1553.00 | NIST | |
| Inp | 1583.00 | NIST | |
| Inp | 1552.00 | NIST | |
| I | [2065.00; 2114.00] |
|
|
| I | 2114.00 | NIST | |
| I | 2065.00 | NIST | |
| Tboil | 555.80 | K | NIST |
| Tc | 723.00 | K | Vapor-liquid critical temperatures and pressures of dicarboxylic acid diethyl esters |
| Tfus | 279.05 | K | Aq. Solubility Prediction |
| Vc | 0.761 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.72; 654.64] | 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 | 4.27980e+01 | |||
| Coefficient B | 1.03424e+00 | |||
| Coefficient C | -4.39800e-04 | |||
| Coefficient D | 1.74000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 292.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 354.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 410.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 461.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 506.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 546.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 581.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 611.03 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 635.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 654.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0084825; 0.0002391] | Pa×s | [279.05; 506.10] |
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 | -1.27246e+01 | |||
| Coefficient B | 2.21980e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 279.05 | |||
| Temperature range, max. | 506.10 | |||
| η | 0.0084825 | Pa×s | 279.05 | Calculated Property |
| η | 0.0043862 | Pa×s | 304.28 | Calculated Property |
| η | 0.0025091 | Pa×s | 329.51 | Calculated Property |
| η | 0.0015540 | Pa×s | 354.73 | Calculated Property |
| η | 0.0010257 | Pa×s | 379.96 | Calculated Property |
| η | 0.0007129 | Pa×s | 405.19 | Calculated Property |
| η | 0.0005171 | Pa×s | 430.42 | Calculated Property |
| η | 0.0003887 | Pa×s | 455.64 | Calculated Property |
| η | 0.0003010 | Pa×s | 480.87 | Calculated Property |
| η | 0.0002391 | Pa×s | 506.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl suberate.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Vapor-liquid critical temperatures and pressures of dicarboxylic acid diethyl esters
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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