- InChI
- InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-16-25-20(22)14-15-21(23)26-18-19-13-12-17-24-19/h10-11,19H,2-9,12-18H2,1H3/b11-10+
- InChI Key
- BHQWTIIUUZDVEM-ZHACJKMWSA-N
- Formula
- C21H36O5
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCC(=O)OCC1
CCCO1 - Molecular Weight1
- 368.51
- 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 | -1082.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.95 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.729 | Crippen Calculated Property | |
| McVol | 312.340 | ml/mol | McGowan Calculated Property |
| Inp | [2850.00; 2850.00] |
|
|
| Inp | 2850.00 | NIST | |
| Inp | 2850.00 | NIST | |
| Tboil | 651.07 | K | Relay (1.0) Calculated Property |
| Tc | 836.72 | K | Relay (1.0) Calculated Property |
| Tfus | 263.75 | 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 | [453.78; 1091.19] | 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 | -2.27280e+01 | |||
| Coefficient B | 2.03792e+00 | |||
| Coefficient C | -1.12670e-03 | |||
| Coefficient D | 2.02700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 453.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 566.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 666.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 756.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 834.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 903.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 962.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1013.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1055.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1091.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011848; 0.0000725] | Pa×s | [443.48; 726.43] |
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 | -1.39115e+01 | |||
| Coefficient B | 3.18125e+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. | 443.48 | |||
| Temperature range, max. | 726.43 | |||
| η | 0.0011848 | Pa×s | 443.48 | Calculated Property |
| η | 0.0007369 | Pa×s | 474.92 | Calculated Property |
| η | 0.0004862 | Pa×s | 506.36 | Calculated Property |
| η | 0.0003367 | Pa×s | 537.80 | Calculated Property |
| η | 0.0002429 | Pa×s | 569.24 | Calculated Property |
| η | 0.0001813 | Pa×s | 600.68 | Calculated Property |
| η | 0.0001393 | Pa×s | 632.12 | Calculated Property |
| η | 0.0001098 | Pa×s | 663.56 | Calculated Property |
| η | 0.0000884 | Pa×s | 695.00 | Calculated Property |
| η | 0.0000725 | Pa×s | 726.43 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dodec-2-en-1-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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