- InChI
- InChI=1S/C23H40O4/c1-6-7-8-9-10-11-12-13-14-15-16-19-26-21(24)17-18-22(25)27-20(2)23(3,4)5/h20H,6-14,17-19H2,1-5H3
- InChI Key
- ZVLHBJJTTLNMRA-UHFFFAOYSA-N
- Formula
- C23H40O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCC(=O)OC(
C)C(C)(C)C - Molecular Weight1
- 380.57
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 56.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.58 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.822 | Crippen Calculated Property | |
| McVol | 341.210 | ml/mol | McGowan Calculated Property |
| Inp | [2578.00; 2578.00] |
|
|
| Inp | 2578.00 | NIST | |
| Inp | 2578.00 | NIST | |
| Tboil | 614.32 | K | Relay (1.0) Calculated Property |
| Tc | 816.09 | K | Relay (1.0) Calculated Property |
| Tfus | 298.38 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [507.40; 1163.02] | 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 | 2.42020e+01 | |||
| Coefficient B | 2.06120e+00 | |||
| Coefficient C | -1.12106e-03 | |||
| Coefficient D | 1.98680e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 507.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 621.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 724.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 815.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 896.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 967.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1028.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1081.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1125.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1163.02 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, tridec-2-yn-1-yl 3,3-dimethylbut-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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