- InChI
- InChI=1S/C24H34O4/c1-5-7-9-11-14-19(3)27-23(25)21-16-13-17-22(18-21)24(26)28-20(4)15-12-10-8-6-2/h11-20H,5-10H2,1-4H3/b14-11+,15-12+
- InChI Key
- UJQJWYDVNCDQCN-LCPPQYOVSA-N
- Formula
- C24H34O4
- SMILES
-
CCCCC=CC(C)OC(=O)c1cccc(C(=O)O
C(C)C=CCCCC)c1 - Molecular Weight1
- 386.52
- 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).
- Pc : Critical Pressure (kPa).
- 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 |
|---|---|---|---|
| ΔfH°gas | -838.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.270 | Crippen Calculated Property | |
| McVol | 331.540 | ml/mol | McGowan Calculated Property |
| Pc | 1056.88 | kPa | Joback Calculated Property |
| Inp | [2697.00; 2697.00] |
|
|
| Inp | 2697.00 | NIST | |
| Inp | 2697.00 | NIST | |
| Tboil | 633.69 | K | Relay (1.0) Calculated Property |
| Tc | 841.88 | K | Relay (1.0) Calculated Property |
| Tfus | 288.68 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [463.95; 1092.08] | 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 | -1.94440e+01 | |||
| Coefficient B | 2.08768e+00 | |||
| Coefficient C | -1.23076e-03 | |||
| Coefficient D | 2.54600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 463.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 576.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 676.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 764.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 841.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 908.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 966.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1015.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1057.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1092.08 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007089; 0.0000271] | Pa×s | [443.68; 779.72] |
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 | -1.48248e+01 | |||
| Coefficient B | 3.36000e+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. | 443.68 | |||
| Temperature range, max. | 779.72 | |||
| η | 0.0007089 | Pa×s | 443.68 | Calculated Property |
| η | 0.0003938 | Pa×s | 481.02 | Calculated Property |
| η | 0.0002381 | Pa×s | 518.36 | Calculated Property |
| η | 0.0001540 | Pa×s | 555.69 | Calculated Property |
| η | 0.0001053 | Pa×s | 593.03 | Calculated Property |
| η | 0.0000753 | Pa×s | 630.37 | Calculated Property |
| η | 0.0000559 | Pa×s | 667.71 | Calculated Property |
| η | 0.0000428 | Pa×s | 705.04 | Calculated Property |
| η | 0.0000337 | Pa×s | 742.38 | Calculated Property |
| η | 0.0000271 | Pa×s | 779.72 | Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(oct-3-en-2-yl) ester.
Sources
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