- InChI
- InChI=1S/C24H42O4/c1-4-6-8-9-10-11-12-13-14-15-17-21-27-23(25)19-20-24(26)28-22(3)18-16-7-5-2/h22H,4-14,16,18-21H2,1-3H3
- InChI Key
- PATIDHKDRBEMCI-UHFFFAOYSA-N
- Formula
- C24H42O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCC(=O)OC(
C)CCCCC - Molecular Weight1
- 394.60
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ΔfH°gas | -890.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.356 | Crippen Calculated Property | |
| McVol | 355.300 | ml/mol | McGowan Calculated Property |
| Inp | [2718.00; 2718.00] |
|
|
| Inp | 2718.00 | NIST | |
| Inp | 2718.00 | NIST | |
| Tboil | 624.44 | K | Relay (1.0) Calculated Property |
| Tc | 824.68 | K | Relay (1.0) Calculated Property |
| Tfus | 282.78 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [530.07; 1213.15] | 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 | 4.77660e+01 | |||
| Coefficient B | 2.03036e+00 | |||
| Coefficient C | -1.00366e-03 | |||
| Coefficient D | 1.38680e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 530.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 646.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 751.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 846.52 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 930.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1005.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1070.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1126.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1173.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1213.15 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, tridec-2-yn-1-yl 2-heptyl 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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