- InChI
- InChI=1S/C21H34O4/c1-3-4-5-6-14(2)24-19(22)7-8-20(23)25-21-17-10-15-9-16(12-17)13-18(21)11-15/h14-18,21H,3-13H2,1-2H3
- InChI Key
- BYLKFEZAWZSJKZ-UHFFFAOYSA-N
- Formula
- C21H34O4
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)OC1C2CC3
CC(C2)CC1C3 - Molecular Weight1
- 350.49
- 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 | -1046.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.41 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.647 | Crippen Calculated Property | |
| McVol | 289.050 | ml/mol | McGowan Calculated Property |
| Inp | [2554.00; 2554.00] |
|
|
| Inp | 2554.00 | NIST | |
| Inp | 2554.00 | NIST | |
| Tboil | 647.49 | 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 | [412.64; 1073.81] | 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 | -1.11034e+02 | |||
| Coefficient B | 2.28524e+00 | |||
| Coefficient C | -1.43600e-03 | |||
| Coefficient D | 3.35600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 412.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 532.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 638.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 731.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 812.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 881.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 942.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 993.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1036.90 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1073.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0039192; 0.0012929] | Pa×s | [437.91; 707.13] |
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 | -8.45464e+00 | |||
| Coefficient B | 1.27553e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 437.91 | |||
| Temperature range, max. | 707.13 | |||
| η | 0.0039192 | Pa×s | 437.91 | Calculated Property |
| η | 0.0032532 | Pa×s | 467.82 | Calculated Property |
| η | 0.0027615 | Pa×s | 497.74 | Calculated Property |
| η | 0.0023881 | Pa×s | 527.65 | Calculated Property |
| η | 0.0020976 | Pa×s | 557.56 | Calculated Property |
| η | 0.0018670 | Pa×s | 587.48 | Calculated Property |
| η | 0.0016805 | Pa×s | 617.39 | Calculated Property |
| η | 0.0015275 | Pa×s | 647.31 | Calculated Property |
| η | 0.0014002 | Pa×s | 677.22 | Calculated Property |
| η | 0.0012929 | Pa×s | 707.13 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl adamant-2-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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