- InChI
- InChI=1S/C16H26O5/c17-15(20-11-13-5-2-1-3-6-13)8-9-16(18)21-12-14-7-4-10-19-14/h13-14H,1-12H2
- InChI Key
- HRRHGXWLBOUYAL-UHFFFAOYSA-N
- Formula
- C16H26O5
- SMILES
-
O=C(CCC(=O)OCC1CCCO1)OCC1CCCCC
1 - Molecular Weight1
- 298.38
- 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 | -1036.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.21 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.612 | Crippen Calculated Property | |
| McVol | 235.330 | ml/mol | McGowan Calculated Property |
| Inp | [2274.00; 2274.00] |
|
|
| Inp | 2274.00 | NIST | |
| Inp | 2274.00 | NIST | |
| Tboil | 643.78 | 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 | [323.59; 848.89] | 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 | -6.96060e+01 | |||
| Coefficient B | 1.66500e+00 | |||
| Coefficient C | -8.51900e-04 | |||
| Coefficient D | 1.05400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 323.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 417.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 501.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 576.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 642.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 699.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 748.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 789.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 822.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 848.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0027038; 0.0001515] | Pa×s | [399.59; 669.15] |
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 | -1.30666e+01 | |||
| Coefficient B | 2.85848e+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. | 399.59 | |||
| Temperature range, max. | 669.15 | |||
| η | 0.0027038 | Pa×s | 399.59 | Calculated Property |
| η | 0.0016419 | Pa×s | 429.54 | Calculated Property |
| η | 0.0010640 | Pa×s | 459.49 | Calculated Property |
| η | 0.0007272 | Pa×s | 489.44 | Calculated Property |
| η | 0.0005192 | Pa×s | 519.40 | Calculated Property |
| η | 0.0003846 | Pa×s | 549.35 | Calculated Property |
| η | 0.0002939 | Pa×s | 579.30 | Calculated Property |
| η | 0.0002306 | Pa×s | 609.25 | Calculated Property |
| η | 0.0001851 | Pa×s | 639.20 | Calculated Property |
| η | 0.0001515 | Pa×s | 669.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, cyclohexylmethyl 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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