- InChI
- InChI=1S/C24H29ClO4/c25-18-8-3-1-2-4-9-19-28-23(26)16-17-24(27)29-22-14-12-21(13-15-22)20-10-6-5-7-11-20/h5-7,10-15H,1-4,8-9,16-19H2
- InChI Key
- LYRCTFIGGMSLOK-UHFFFAOYSA-N
- Formula
- C24H29ClO4
- SMILES
-
O=C(CCC(=O)Oc1ccc(-c2ccccc2)cc
1)OCCCCCCCCCl - Molecular Weight1
- 416.94
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -714.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.63 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.162 | Crippen Calculated Property | |
| McVol | 328.620 | ml/mol | McGowan Calculated Property |
| Inp | [2477.00; 2477.00] |
|
|
| Inp | 2477.00 | NIST | |
| Inp | 2477.00 | NIST | |
| Tboil | 714.98 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 | [448.73; 1041.91] | 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 | -8.73000e+00 | |||
| Coefficient B | 1.96370e+00 | |||
| Coefficient C | -1.10836e-03 | |||
| Coefficient D | 1.95300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 448.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 555.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 651.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 735.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 809.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 873.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 927.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 973.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1011.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1041.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003562; 0.0000365] | Pa×s | [540.18; 828.50] |
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 | -1.44870e+01 | |||
| Coefficient B | 3.53662e+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. | 540.18 | |||
| Temperature range, max. | 828.50 | |||
| η | 0.0003562 | Pa×s | 540.18 | Calculated Property |
| η | 0.0002469 | Pa×s | 572.22 | Calculated Property |
| η | 0.0001779 | Pa×s | 604.25 | Calculated Property |
| η | 0.0001325 | Pa×s | 636.29 | Calculated Property |
| η | 0.0001015 | Pa×s | 668.32 | Calculated Property |
| η | 0.0000797 | Pa×s | 700.36 | Calculated Property |
| η | 0.0000639 | Pa×s | 732.39 | Calculated Property |
| η | 0.0000522 | Pa×s | 764.43 | Calculated Property |
| η | 0.0000433 | Pa×s | 796.46 | Calculated Property |
| η | 0.0000365 | Pa×s | 828.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 8-chlorooctyl 4-biphenyl 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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