- InChI
- InChI=1S/C18H34O4/c1-9-13(17(3,4)5)21-15(19)11-12-16(20)22-14(10-2)18(6,7)8/h13-14H,9-12H2,1-8H3
- InChI Key
- PAEKQZDNJDJDJR-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
-
CCC(OC(=O)CCC(=O)OC(CC)C(C)(C)
C)C(C)(C)C - Molecular Weight1
- 314.46
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1069.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.65 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.502 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Inp | [1817.00; 1817.00] |
|
|
| Inp | 1817.00 | NIST | |
| Inp | 1817.00 | NIST | |
| Tboil | 567.64 | 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 | [416.46; 968.19] | 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 | -1.49660e+01 | |||
| Coefficient B | 1.86776e+00 | |||
| Coefficient C | -1.11620e-03 | |||
| Coefficient D | 2.31600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 416.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 516.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 604.90 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 682.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 750.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 809.71 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 860.14 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 902.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 938.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 968.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0042812; 0.0000623] | Pa×s | [352.12; 635.40] |
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 | -1.49431e+01 | |||
| Coefficient B | 3.34148e+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. | 352.12 | |||
| Temperature range, max. | 635.40 | |||
| η | 0.0042812 | Pa×s | 352.12 | Calculated Property |
| η | 0.0019652 | Pa×s | 383.60 | Calculated Property |
| η | 0.0010151 | Pa×s | 415.07 | Calculated Property |
| η | 0.0005755 | Pa×s | 446.55 | Calculated Property |
| η | 0.0003516 | Pa×s | 478.02 | Calculated Property |
| η | 0.0002283 | Pa×s | 509.50 | Calculated Property |
| η | 0.0001559 | Pa×s | 540.97 | Calculated Property |
| η | 0.0001110 | Pa×s | 572.45 | Calculated Property |
| η | 0.0000819 | Pa×s | 603.93 | Calculated Property |
| η | 0.0000623 | Pa×s | 635.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, di(2,2-dimethylpent-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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