- InChI
- InChI=1S/C26H34O4/c1-2-3-4-5-6-7-8-9-10-13-20-29-25(27)18-19-26(28)30-24-17-16-22-14-11-12-15-23(22)21-24/h10-17,21H,2-9,18-20H2,1H3/b13-10+
- InChI Key
- MNYNCZDOCXYPKM-JLHYYAGUSA-N
- Formula
- C26H34O4
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCC(=O)Oc1c
cc2ccccc2c1 - Molecular Weight1
- 410.55
- 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° | 62.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.21 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.766 | Crippen Calculated Property | |
| McVol | 344.560 | ml/mol | McGowan Calculated Property |
| Inp | [3337.00; 3337.00] |
|
|
| Inp | 3337.00 | NIST | |
| Inp | 3337.00 | NIST | |
| Tboil | 718.32 | K | Relay (1.0) Calculated Property |
| Tc | 954.18 | K | Relay (1.0) Calculated Property |
| Tfus | 326.71 | 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 | [480.01; 1133.98] | 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 | -3.51590e+01 | |||
| Coefficient B | 2.24212e+00 | |||
| Coefficient C | -1.38608e-03 | |||
| Coefficient D | 3.13100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 480.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 598.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 703.11 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 795.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 875.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 944.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1004.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1054.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1097.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1133.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004546; 0.0000539] | Pa×s | [534.00; 829.10] |
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 | -1.36865e+01 | |||
| Coefficient B | 3.19888e+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. | 534.00 | |||
| Temperature range, max. | 829.10 | |||
| η | 0.0004546 | Pa×s | 534.00 | Calculated Property |
| η | 0.0003215 | Pa×s | 566.79 | Calculated Property |
| η | 0.0002361 | Pa×s | 599.58 | Calculated Property |
| η | 0.0001790 | Pa×s | 632.37 | Calculated Property |
| η | 0.0001395 | Pa×s | 665.16 | Calculated Property |
| η | 0.0001113 | Pa×s | 697.94 | Calculated Property |
| η | 0.0000906 | Pa×s | 730.73 | Calculated Property |
| η | 0.0000751 | Pa×s | 763.52 | Calculated Property |
| η | 0.0000632 | Pa×s | 796.31 | Calculated Property |
| η | 0.0000539 | Pa×s | 829.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dodec-2-en-1-yl 2-naphthyl 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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