- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [533.79; 613.27] | J/mol×K | [610.16; 784.19] |
|
| Cp,gas | 533.79 | J/mol×K | 610.16 | Joback Calculated Property |
| Cp,gas | 548.82 | J/mol×K | 639.17 | Joback Calculated Property |
| Cp,gas | 563.12 | J/mol×K | 668.17 | Joback Calculated Property |
| Cp,gas | 576.71 | J/mol×K | 697.18 | Joback Calculated Property |
| Cp,gas | 589.59 | J/mol×K | 726.18 | Joback Calculated Property |
| Cp,gas | 601.77 | J/mol×K | 755.19 | Joback Calculated Property |
| Cp,gas | 613.27 | J/mol×K | 784.19 | Joback Calculated Property |
| η | [0.0001174; 0.0033796] | Pa×s | [319.17; 610.16] |
|
| η | 0.0033796 | Pa×s | 319.17 | Joback Calculated Property |
| η | 0.0013343 | Pa×s | 367.67 | Joback Calculated Property |
| η | 0.0006542 | Pa×s | 416.17 | Joback Calculated Property |
| η | 0.0003722 | Pa×s | 464.66 | Joback Calculated Property |
| η | 0.0002356 | Pa×s | 513.16 | Joback Calculated Property |
| η | 0.0001614 | Pa×s | 561.66 | Joback Calculated Property |
| η | 0.0001174 | Pa×s | 610.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, ethyl pent-4-enyl ester.
Sources
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