- InChI
- InChI=1S/C17H30O4/c1-6-8-9-10-15(7-2)21-17(19)12-11-16(18)20-14(5)13(3)4/h7,13-15H,2,6,8-12H2,1,3-5H3
- InChI Key
- MUCONRDDMKUQDA-UHFFFAOYSA-N
- Formula
- C17H30O4
- SMILES
-
C=CC(CCCCC)OC(=O)CCC(=O)OC(C)C
(C)C - Molecular Weight1
- 298.42
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -937.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.13 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.032 | Crippen Calculated Property | |
| McVol | 260.970 | ml/mol | McGowan Calculated Property |
| Inp | [1873.00; 1873.00] |
|
|
| Inp | 1873.00 | NIST | |
| Inp | 1873.00 | NIST | |
| Tboil | 571.69 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [388.04; 885.70] | 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 | 3.02160e+01 | |||
| Coefficient B | 1.50698e+00 | |||
| Coefficient C | -7.44300e-04 | |||
| Coefficient D | 9.28000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 388.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 474.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 552.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 621.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 683.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 738.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 785.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 825.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 858.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 885.70 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0058208; 0.0000936] | Pa×s | [319.25; 615.64] |
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 | -1.37255e+01 | |||
| Coefficient B | 2.73890e+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. | 319.25 | |||
| Temperature range, max. | 615.64 | |||
| η | 0.0058208 | Pa×s | 319.25 | Calculated Property |
| η | 0.0026096 | Pa×s | 352.18 | Calculated Property |
| η | 0.0013420 | Pa×s | 385.11 | Calculated Property |
| η | 0.0007664 | Pa×s | 418.05 | Calculated Property |
| η | 0.0004750 | Pa×s | 450.98 | Calculated Property |
| η | 0.0003142 | Pa×s | 483.91 | Calculated Property |
| η | 0.0002191 | Pa×s | 516.84 | Calculated Property |
| η | 0.0001595 | Pa×s | 549.78 | Calculated Property |
| η | 0.0001203 | Pa×s | 582.71 | Calculated Property |
| η | 0.0000936 | Pa×s | 615.64 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methylbut-2-yl oct-1-en-3-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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