- InChI
- InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-13-18-24-20(22)16-17-21(23)25-19-14-11-12-15-19/h10,13,19H,2-9,11-12,14-18H2,1H3/b13-10+
- InChI Key
- CPJMJTNJHCAPJD-JLHYYAGUSA-N
- Formula
- C21H36O4
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCC(=O)OC1C
CCC1 - Molecular Weight1
- 352.51
- 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -974.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.85 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.492 | Crippen Calculated Property | |
| McVol | 306.470 | ml/mol | McGowan Calculated Property |
| Inp | [2591.00; 2591.00] |
|
|
| Inp | 2591.00 | NIST | |
| Inp | 2591.00 | NIST | |
| Tboil | 634.35 | K | Relay (1.0) Calculated Property |
| Tc | 835.39 | K | Relay (1.0) Calculated Property |
| Tfus | 267.60 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [436.42; 1071.67] | 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 | -4.00490e+01 | |||
| Coefficient B | 2.04092e+00 | |||
| Coefficient C | -1.14060e-03 | |||
| Coefficient D | 2.11400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 436.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 548.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 648.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 737.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 816.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 884.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 943.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 993.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1036.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1071.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014803; 0.0000815] | Pa×s | [416.91; 705.71] |
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 | -1.36019e+01 | |||
| Coefficient B | 2.95438e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 416.91 | |||
| Temperature range, max. | 705.71 | |||
| η | 0.0014803 | Pa×s | 416.91 | Calculated Property |
| η | 0.0008921 | Pa×s | 449.00 | Calculated Property |
| η | 0.0005752 | Pa×s | 481.09 | Calculated Property |
| η | 0.0003918 | Pa×s | 513.18 | Calculated Property |
| η | 0.0002792 | Pa×s | 545.27 | Calculated Property |
| η | 0.0002066 | Pa×s | 577.35 | Calculated Property |
| η | 0.0001578 | Pa×s | 609.44 | Calculated Property |
| η | 0.0001238 | Pa×s | 641.53 | Calculated Property |
| η | 0.0000994 | Pa×s | 673.62 | Calculated Property |
| η | 0.0000815 | Pa×s | 705.71 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dodec-2-en-1-yl cyclopentyl 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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