- InChI
- InChI=1S/C23H33ClO4/c1-2-3-4-5-6-7-8-9-10-11-18-27-22(25)16-17-23(26)28-19-20-12-14-21(24)15-13-20/h10-15H,2-9,16-19H2,1H3/b11-10+
- InChI Key
- BIKOLROTMUJMEJ-ZHACJKMWSA-N
- Formula
- C23H33ClO4
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCC(=O)OCc1
ccc(Cl)cc1 - Molecular Weight1
- 408.96
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 |
|---|---|---|---|
| ΔfusH° | 62.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.60 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.404 | Crippen Calculated Property | |
| McVol | 333.990 | ml/mol | McGowan Calculated Property |
| Inp | [3040.00; 3040.00] |
|
|
| Inp | 3040.00 | NIST | |
| Inp | 3040.00 | NIST | |
| Tboil | 670.30 | K | Relay (1.0) Calculated Property |
| Tc | 871.68 | K | Relay (1.0) Calculated Property |
| Tfus | 283.12 | 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 | [470.77; 1078.26] | 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 | 1.19020e+01 | |||
| Coefficient B | 1.96762e+00 | |||
| Coefficient C | -1.10656e-03 | |||
| Coefficient D | 2.05300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 470.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 578.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 674.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 760.11 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 835.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 900.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 956.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1004.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1045.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1078.26 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004512; 0.0000369] | Pa×s | [497.41; 786.80] |
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 | -1.45094e+01 | |||
| Coefficient B | 3.38528e+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. | 497.41 | |||
| Temperature range, max. | 786.80 | |||
| η | 0.0004512 | Pa×s | 497.41 | Calculated Property |
| η | 0.0002985 | Pa×s | 529.56 | Calculated Property |
| η | 0.0002070 | Pa×s | 561.72 | Calculated Property |
| η | 0.0001494 | Pa×s | 593.87 | Calculated Property |
| η | 0.0001115 | Pa×s | 626.03 | Calculated Property |
| η | 0.0000856 | Pa×s | 658.18 | Calculated Property |
| η | 0.0000674 | Pa×s | 690.34 | Calculated Property |
| η | 0.0000541 | Pa×s | 722.49 | Calculated Property |
| η | 0.0000443 | Pa×s | 754.64 | Calculated Property |
| η | 0.0000369 | Pa×s | 786.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dodec-2-en-1-yl 4-chlorobenzyl 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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