- InChI
- InChI=1S/C15H26O5/c1-4-13(11(2)3)20-15(17)8-7-14(16)19-10-12-6-5-9-18-12/h11-13H,4-10H2,1-3H3
- InChI Key
- YUZXAPFWBWBILV-UHFFFAOYSA-N
- Formula
- C15H26O5
- SMILES
-
CCC(OC(=O)CCC(=O)OCC1CCCO1)C(C
)C - Molecular Weight1
- 286.36
- 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 | -1056.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.82 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.467 | Crippen Calculated Property | |
| McVol | 232.100 | ml/mol | McGowan Calculated Property |
| Inp | [1943.00; 1943.00] |
|
|
| Inp | 1943.00 | NIST | |
| Inp | 1943.00 | NIST | |
| Tboil | 602.86 | 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 | [339.87; 813.30] | 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 | -6.45600e+00 | |||
| Coefficient B | 1.45976e+00 | |||
| Coefficient C | -7.22900e-04 | |||
| Coefficient D | 8.29000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 339.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 423.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 498.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 565.17 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 624.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 676.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 720.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 758.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 788.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 813.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0044565; 0.0001484] | Pa×s | [350.94; 626.25] |
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 | -1.31517e+01 | |||
| Coefficient B | 2.71569e+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. | 350.94 | |||
| Temperature range, max. | 626.25 | |||
| η | 0.0044565 | Pa×s | 350.94 | Calculated Property |
| η | 0.0023963 | Pa×s | 381.53 | Calculated Property |
| η | 0.0014128 | Pa×s | 412.12 | Calculated Property |
| η | 0.0008961 | Pa×s | 442.71 | Calculated Property |
| η | 0.0006028 | Pa×s | 473.30 | Calculated Property |
| η | 0.0004255 | Pa×s | 503.89 | Calculated Property |
| η | 0.0003126 | Pa×s | 534.48 | Calculated Property |
| η | 0.0002374 | Pa×s | 565.07 | Calculated Property |
| η | 0.0001855 | Pa×s | 595.66 | Calculated Property |
| η | 0.0001484 | Pa×s | 626.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-methylpent-3-yl tetrahydrofurfuryl 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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