- InChI
- InChI=1S/C15H26O4/c1-4-5-6-11-18-14(16)9-10-15(17)19-12-7-8-13(2)3/h4,13H,1,5-12H2,2-3H3
- InChI Key
- FSWBYSGFMLXPJX-UHFFFAOYSA-N
- Formula
- C15H26O4
- SMILES
- C=CCCCOC(=O)CCC(=O)OCCCC(C)C
- Molecular Weight1
- 270.37
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -884.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.82 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.255 | Crippen Calculated Property | |
| McVol | 232.790 | ml/mol | McGowan Calculated Property |
| Inp | [1802.00; 1802.00] |
|
|
| Inp | 1802.00 | NIST | |
| Inp | 1802.00 | NIST | |
| Tboil | 583.18 | K | Relay (1.0) Calculated Property |
| Tc | 739.91 | K | Relay (1.0) Calculated Property |
| Tfus | 246.44 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.24; 781.44] | 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 | 3.53980e+01 | |||
| Coefficient B | 1.30514e+00 | |||
| Coefficient C | -6.29100e-04 | |||
| Coefficient D | 7.00000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 346.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 421.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 489.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 550.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 604.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 652.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 693.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 728.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 757.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 781.44 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037618; 0.0001362] | Pa×s | [326.71; 581.43] |
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 | -1.31582e+01 | |||
| Coefficient B | 2.47494e+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. | 326.71 | |||
| Temperature range, max. | 581.43 | |||
| η | 0.0037618 | Pa×s | 326.71 | Calculated Property |
| η | 0.0020564 | Pa×s | 355.01 | Calculated Property |
| η | 0.0012290 | Pa×s | 383.31 | Calculated Property |
| η | 0.0007884 | Pa×s | 411.62 | Calculated Property |
| η | 0.0005355 | Pa×s | 439.92 | Calculated Property |
| η | 0.0003811 | Pa×s | 468.22 | Calculated Property |
| η | 0.0002820 | Pa×s | 496.52 | Calculated Property |
| η | 0.0002155 | Pa×s | 524.83 | Calculated Property |
| η | 0.0001693 | Pa×s | 553.13 | Calculated Property |
| η | 0.0001362 | Pa×s | 581.43 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, isohexyl pent-4-enyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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