- InChI
- InChI=1S/C27H36O4/c1-3-4-5-6-7-10-15-22(2)30-25(28)20-21-26(29)31-27(23-16-11-8-12-17-23)24-18-13-9-14-19-24/h8-9,11-14,16-19,22,27H,3-7,10,15,20-21H2,1-2H3
- InChI Key
- RIMHXUMGJLHZLP-UHFFFAOYSA-N
- Formula
- C27H36O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCC(=O)OC(c1
ccccc1)c1ccccc1 - Molecular Weight1
- 424.57
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ΔfH°gas | -741.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.782 | Crippen Calculated Property | |
| McVol | 358.650 | ml/mol | McGowan Calculated Property |
| Inp | [3022.00; 3022.00] |
|
|
| Inp | 3022.00 | NIST | |
| Inp | 3022.00 | NIST | |
| Tboil | 670.17 | K | Relay (1.0) Calculated Property |
| Tfus | 311.18 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [495.79; 1192.53] | 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 | -4.20110e+01 | |||
| Coefficient B | 2.31324e+00 | |||
| Coefficient C | -1.32460e-03 | |||
| Coefficient D | 2.45900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 495.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 621.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 733.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 831.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 918.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 993.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1057.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1111.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1156.12 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1192.53 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004965; 0.0000230] | Pa×s | [501.55; 847.30] |
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 | -1.51339e+01 | |||
| Coefficient B | 3.77468e+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. | 501.55 | |||
| Temperature range, max. | 847.30 | |||
| η | 0.0004965 | Pa×s | 501.55 | Calculated Property |
| η | 0.0002907 | Pa×s | 539.97 | Calculated Property |
| η | 0.0001827 | Pa×s | 578.38 | Calculated Property |
| η | 0.0001217 | Pa×s | 616.80 | Calculated Property |
| η | 0.0000850 | Pa×s | 655.22 | Calculated Property |
| η | 0.0000618 | Pa×s | 693.63 | Calculated Property |
| η | 0.0000464 | Pa×s | 732.05 | Calculated Property |
| η | 0.0000359 | Pa×s | 770.47 | Calculated Property |
| η | 0.0000284 | Pa×s | 808.88 | Calculated Property |
| η | 0.0000230 | Pa×s | 847.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dec-2-yl diphenylmethyl 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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