- InChI
- InChI=1S/C24H36O4/c1-4-5-6-7-8-9-10-11-12-13-19-27-23(25)17-18-24(26)28-22-16-14-15-20(2)21(22)3/h12-16H,4-11,17-19H2,1-3H3/b13-12+
- InChI Key
- CRJVVPLAKWGPAQ-OUKQBFOZSA-N
- Formula
- C24H36O4
- SMILES
-
CCCCCCCCC/C=C/COC(=O)CCC(=O)Oc
1cccc(C)c1C - Molecular Weight1
- 388.55
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 60.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.10 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.229 | Crippen Calculated Property | |
| McVol | 335.840 | ml/mol | McGowan Calculated Property |
| Inp | [2930.00; 2930.00] |
|
|
| Inp | 2930.00 | NIST | |
| Inp | 2930.00 | NIST | |
| Tboil | 656.62 | K | Relay (1.0) Calculated Property |
| Tc | 876.25 | K | Relay (1.0) Calculated Property |
| Tfus | 301.75 | 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 | [481.13; 1118.54] | 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 | 1.24010e+01 | |||
| Coefficient B | 1.99636e+00 | |||
| Coefficient C | -1.07352e-03 | |||
| Coefficient D | 1.83300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 481.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 592.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 692.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 781.18 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 859.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 928.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 988.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1039.61 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1082.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1118.54 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004341; 0.0000377] | Pa×s | [491.28; 778.15] |
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 | -1.43716e+01 | |||
| Coefficient B | 3.25686e+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. | 491.28 | |||
| Temperature range, max. | 778.15 | |||
| η | 0.0004341 | Pa×s | 491.28 | Calculated Property |
| η | 0.0002898 | Pa×s | 523.15 | Calculated Property |
| η | 0.0002027 | Pa×s | 555.03 | Calculated Property |
| η | 0.0001474 | Pa×s | 586.90 | Calculated Property |
| η | 0.0001108 | Pa×s | 618.78 | Calculated Property |
| η | 0.0000856 | Pa×s | 650.65 | Calculated Property |
| η | 0.0000677 | Pa×s | 682.53 | Calculated Property |
| η | 0.0000548 | Pa×s | 714.40 | Calculated Property |
| η | 0.0000451 | Pa×s | 746.28 | Calculated Property |
| η | 0.0000377 | Pa×s | 778.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dodec-2-en-1-yl 2,3-dimethylphenyl 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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