- InChI
- InChI=1S/C19H27ClO2/c1-2-3-4-5-6-7-8-9-10-15-22-19(21)16-17-11-13-18(20)14-12-17/h9-14H,2-8,15-16H2,1H3/b10-9-
- InChI Key
- XCNFLAOJPRZLSG-MDZDMXLPSA-N
- Formula
- C19H27ClO2
- SMILES
-
CCCCCCCC/C=C/COC(=O)Cc1ccc(Cl)
cc1 - Molecular Weight1
- 322.88
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 47.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.94 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.732 | Crippen Calculated Property | |
| McVol | 270.190 | ml/mol | McGowan Calculated Property |
| Tboil | 626.41 | K | Relay (1.0) Calculated Property |
| Tc | 835.74 | K | Relay (1.0) Calculated Property |
| Tfus | 274.28 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [767.55; 852.18] | J/mol×K | [765.79; 965.02] | 
|
| Cp,gas | 767.55 | J/mol×K | 765.79 | Joback Calculated Property |
| Cp,gas | 784.08 | J/mol×K | 798.99 | Joback Calculated Property |
| Cp,gas | 799.58 | J/mol×K | 832.20 | Joback Calculated Property |
| Cp,gas | 814.09 | J/mol×K | 865.40 | Joback Calculated Property |
| Cp,gas | 827.66 | J/mol×K | 898.61 | Joback Calculated Property |
| Cp,gas | 840.34 | J/mol×K | 931.81 | Joback Calculated Property |
| Cp,gas | 852.18 | J/mol×K | 965.02 | Joback Calculated Property |
| η | [0.0000576; 0.0011192] | Pa×s | [410.00; 765.79] |
|
| η | 0.0011192 | Pa×s | 410.00 | Joback Calculated Property |
| η | 0.0004993 | Pa×s | 469.30 | Joback Calculated Property |
| η | 0.0002670 | Pa×s | 528.60 | Joback Calculated Property |
| η | 0.0001620 | Pa×s | 587.89 | Joback Calculated Property |
| η | 0.0001077 | Pa×s | 647.19 | Joback Calculated Property |
| η | 0.0000767 | Pa×s | 706.49 | Joback Calculated Property |
| η | 0.0000576 | Pa×s | 765.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, 4-chloro-, undec-2-en-1-yl 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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