- InChI
- InChI=1S/C18H25ClO4/c1-14-7-8-16(13-15(14)2)23-18(21)10-9-17(20)22-12-6-4-3-5-11-19/h7-8,13H,3-6,9-12H2,1-2H3
- InChI Key
- KXQXSHCDMNRACU-UHFFFAOYSA-N
- Formula
- C18H25ClO4
- SMILES
-
Cc1ccc(OC(=O)CCC(=O)OCCCCCCCl)
cc1C - Molecular Weight1
- 340.84
- 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 | -838.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.23 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.331 | Crippen Calculated Property | |
| McVol | 267.840 | ml/mol | McGowan Calculated Property |
| Inp | [2677.00; 2677.00] |
|
|
| Inp | 2677.00 | NIST | |
| Inp | 2677.00 | NIST | |
| Tfus | 305.46 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [776.39; 848.43] | J/mol×K | [801.95; 1002.20] |
|
| Cp,gas | 776.39 | J/mol×K | 801.95 | Joback Calculated Property |
| Cp,gas | 791.12 | J/mol×K | 835.32 | Joback Calculated Property |
| Cp,gas | 804.74 | J/mol×K | 868.70 | Joback Calculated Property |
| Cp,gas | 817.27 | J/mol×K | 902.07 | Joback Calculated Property |
| Cp,gas | 828.71 | J/mol×K | 935.45 | Joback Calculated Property |
| Cp,gas | 839.10 | J/mol×K | 968.82 | Joback Calculated Property |
| Cp,gas | 848.43 | J/mol×K | 1002.20 | Joback Calculated Property |
| η | [0.0000493; 0.0007302] | Pa×s | [458.66; 801.95] |
|
| η | 0.0007302 | Pa×s | 458.66 | Joback Calculated Property |
| η | 0.0003633 | Pa×s | 515.88 | Joback Calculated Property |
| η | 0.0002078 | Pa×s | 573.09 | Joback Calculated Property |
| η | 0.0001315 | Pa×s | 630.31 | Joback Calculated Property |
| η | 0.0000898 | Pa×s | 687.52 | Joback Calculated Property |
| η | 0.0000651 | Pa×s | 744.74 | Joback Calculated Property |
| η | 0.0000493 | Pa×s | 801.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3,4-dimethylphenyl 6-chlorohexyl 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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