- InChI
- InChI=1S/C21H31ClO4/c1-2-19(18-12-8-7-9-13-18)26-21(24)15-14-20(23)25-17-11-6-4-3-5-10-16-22/h7-9,12-13,19H,2-6,10-11,14-17H2,1H3
- InChI Key
- CWBQLMJCHKSCJE-UHFFFAOYSA-N
- Formula
- C21H31ClO4
- SMILES
-
CCC(OC(=O)CCC(=O)OCCCCCCCCCl)c
1ccccc1 - Molecular Weight1
- 382.92
- 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.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -886.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.47 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.584 | Crippen Calculated Property | |
| McVol | 310.110 | ml/mol | McGowan Calculated Property |
| Inp | [2707.00; 2707.00] |
|
|
| Inp | 2707.00 | NIST | |
| Inp | 2707.00 | NIST | |
| Tfus | 299.50 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, 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 | [439.48; 1009.24] | 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 | 1.19210e+01 | |||
| Coefficient B | 1.82302e+00 | |||
| Coefficient C | -9.84200e-04 | |||
| Coefficient D | 1.58500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 439.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 540.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 631.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 711.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 782.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 844.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 897.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 941.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 979.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1009.24 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009087; 0.0000519] | Pa×s | [452.43; 743.31] |
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 | -1.43192e+01 | |||
| Coefficient B | 3.30980e+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. | 452.43 | |||
| Temperature range, max. | 743.31 | |||
| η | 0.0009087 | Pa×s | 452.43 | Calculated Property |
| η | 0.0005579 | Pa×s | 484.75 | Calculated Property |
| η | 0.0003641 | Pa×s | 517.07 | Calculated Property |
| η | 0.0002498 | Pa×s | 549.39 | Calculated Property |
| η | 0.0001788 | Pa×s | 581.71 | Calculated Property |
| η | 0.0001325 | Pa×s | 614.03 | Calculated Property |
| η | 0.0001012 | Pa×s | 646.35 | Calculated Property |
| η | 0.0000793 | Pa×s | 678.67 | Calculated Property |
| η | 0.0000635 | Pa×s | 710.99 | Calculated Property |
| η | 0.0000519 | Pa×s | 743.31 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 8-chlorooctyl 1-phenylpropyl 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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