- InChI
- InChI=1S/C13H22O4/c1-3-5-8-11-17-13(15)10-7-6-9-12(14)16-4-2/h3H,1,4-11H2,2H3
- InChI Key
- YXGWLPLHOXJMFK-UHFFFAOYSA-N
- Formula
- C13H22O4
- SMILES
- C=CCCCOC(=O)CCCCC(=O)OCC
- Molecular Weight1
- 242.31
- 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.
- 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 | 0.7422 | Relay (1.0) Calculated Property | |
| ΔfG° | -474.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -832.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.619 | Crippen Calculated Property | |
| McVol | 204.610 | ml/mol | McGowan Calculated Property |
| Pc | 1716.03 | kPa | Joback Calculated Property |
| Inp | [1659.00; 1659.00] |
|
|
| Inp | 1659.00 | NIST | |
| Inp | 1659.00 | NIST | |
| Tboil | 559.88 | K | Relay (1.0) Calculated Property |
| Tc | 723.92 | K | Relay (1.0) Calculated Property |
| Tfus | 244.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.770 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [304.13; 677.72] | 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 | 3.88980e+01 | |||
| Coefficient B | 1.10922e+00 | |||
| Coefficient C | -5.17100e-04 | |||
| Coefficient D | 4.67000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 304.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 368.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 427.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 479.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 526.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 567.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 602.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 632.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 657.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 677.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033796; 0.0001770] | Pa×s | [319.17; 548.93] |
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 | -1.27358e+01 | |||
| Coefficient B | 2.24880e+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. | 319.17 | |||
| Temperature range, max. | 548.93 | |||
| η | 0.0033796 | Pa×s | 319.17 | Calculated Property |
| η | 0.0020056 | Pa×s | 344.70 | Calculated Property |
| η | 0.0012790 | Pa×s | 370.23 | Calculated Property |
| η | 0.0008644 | Pa×s | 395.76 | Calculated Property |
| η | 0.0006126 | Pa×s | 421.29 | Calculated Property |
| η | 0.0004516 | Pa×s | 446.82 | Calculated Property |
| η | 0.0003440 | Pa×s | 472.35 | Calculated Property |
| η | 0.0002695 | Pa×s | 497.87 | Calculated Property |
| η | 0.0002162 | Pa×s | 523.40 | Calculated Property |
| η | 0.0001770 | Pa×s | 548.93 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, ethyl pent-4-enyl ester.
Sources
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