- InChI
- InChI=1S/C13H19Cl/c1-8(2)11-7-13(14)12(9(3)4)6-10(11)5/h6-9H,1-5H3
- InChI Key
- FZRYTIZWGMHXRJ-UHFFFAOYSA-N
- Formula
- C13H19Cl
- SMILES
- Cc1cc(C(C)C)c(Cl)cc1C(C)C
- Molecular Weight1
- 210.74
- CAS
- 98184-18-0
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -138.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -193.60 ± 5.20 | kJ/mol | NIST |
| ΔfusH° | 19.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.24 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.895 | Crippen Calculated Property | |
| McVol | 182.510 | ml/mol | McGowan Calculated Property |
| Tboil | 523.37 | K | Relay (1.0) Calculated Property |
| Tfus | 336.91 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [425.57; 512.33] | J/mol×K | [575.21; 788.26] | 
|
| Cp,gas | 425.57 | J/mol×K | 575.21 | Joback Calculated Property |
| Cp,gas | 442.16 | J/mol×K | 610.72 | Joback Calculated Property |
| Cp,gas | 457.86 | J/mol×K | 646.23 | Joback Calculated Property |
| Cp,gas | 472.70 | J/mol×K | 681.73 | Joback Calculated Property |
| Cp,gas | 486.71 | J/mol×K | 717.24 | Joback Calculated Property |
| Cp,gas | 499.91 | J/mol×K | 752.75 | Joback Calculated Property |
| Cp,gas | 512.33 | J/mol×K | 788.26 | Joback Calculated Property |
| η | [0.0001578; 0.0022241] | Pa×s | [300.17; 575.21] |
|
| η | 0.0022241 | Pa×s | 300.17 | Joback Calculated Property |
| η | 0.0010684 | Pa×s | 346.01 | Joback Calculated Property |
| η | 0.0006093 | Pa×s | 391.85 | Joback Calculated Property |
| η | 0.0003909 | Pa×s | 437.69 | Joback Calculated Property |
| η | 0.0002728 | Pa×s | 483.53 | Joback Calculated Property |
| η | 0.0002026 | Pa×s | 529.37 | Joback Calculated Property |
| η | 0.0001578 | Pa×s | 575.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Chloro-2,5-diisopropyl-4-methylbenzene.
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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