- InChI
- InChI=1S/C16H28O4/c1-5-7-8-9-12-19-15(17)10-11-16(18)20-14(6-2)13(3)4/h5,13-14H,1,6-12H2,2-4H3
- InChI Key
- LBAZOEVHBRCGJS-UHFFFAOYSA-N
- Formula
- C16H28O4
- SMILES
-
C=CCCCCOC(=O)CCC(=O)OC(CC)C(C)
C - Molecular Weight1
- 284.39
- 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).
- 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 | -902.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.06 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.644 | Crippen Calculated Property | |
| McVol | 246.880 | ml/mol | McGowan Calculated Property |
| Inp | [1835.00; 1835.00] |
|
|
| Inp | 1835.00 | NIST | |
| Inp | 1835.00 | NIST | |
| Tboil | 588.14 | K | Relay (1.0) Calculated Property |
| Tfus | 238.67 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [367.14; 833.57] | 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 | 3.28070e+01 | |||
| Coefficient B | 1.40606e+00 | |||
| Coefficient C | -6.86700e-04 | |||
| Coefficient D | 8.14000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 367.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 447.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 520.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 586.17 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 644.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 695.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 739.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 776.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 808.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 833.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0046580; 0.0001134] | Pa×s | [322.98; 598.51] |
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 | -1.34406e+01 | |||
| Coefficient B | 2.60692e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 322.98 | |||
| Temperature range, max. | 598.51 | |||
| η | 0.0046580 | Pa×s | 322.98 | Calculated Property |
| η | 0.0023158 | Pa×s | 353.59 | Calculated Property |
| η | 0.0012870 | Pa×s | 384.21 | Calculated Property |
| η | 0.0007800 | Pa×s | 414.82 | Calculated Property |
| η | 0.0005064 | Pa×s | 445.44 | Calculated Property |
| η | 0.0003476 | Pa×s | 476.05 | Calculated Property |
| η | 0.0002497 | Pa×s | 506.67 | Calculated Property |
| η | 0.0001862 | Pa×s | 537.28 | Calculated Property |
| η | 0.0001434 | Pa×s | 567.90 | Calculated Property |
| η | 0.0001134 | Pa×s | 598.51 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-methylpent-3-yl hex-5-en-1-yl 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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