- InChI
- InChI=1S/C12H17Cl/c1-4-5-12(13)11-8-9(2)6-7-10(11)3/h6-8,12H,4-5H2,1-3H3
- InChI Key
- ZWZGATUEKAUEQL-UHFFFAOYSA-N
- Formula
- C12H17Cl
- SMILES
- CCCC(Cl)c1cc(C)ccc1C
- Molecular Weight1
- 196.72
- ω : Acentric Factor.
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4573 | Relay (1.0) Calculated Property | |
| ΔfusH° | 20.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.64 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.383 | Crippen Calculated Property | |
| McVol | 168.420 | ml/mol | McGowan Calculated Property |
| Pc | 2271.90 | kPa | Joback Calculated Property |
| Inp | 1420.00 | NIST | |
| Tboil | 532.15 | K | Relay (1.0) Calculated Property |
| Tc | 735.14 | K | Relay (1.0) Calculated Property |
| Tfus | 310.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.615 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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 | [377.10; 459.38] | J/mol×K | [547.79; 758.77] | 
|
| Cp,gas | 377.10 | J/mol×K | 547.79 | Joback Calculated Property |
| Cp,gas | 392.86 | J/mol×K | 582.95 | Joback Calculated Property |
| Cp,gas | 407.76 | J/mol×K | 618.12 | Joback Calculated Property |
| Cp,gas | 421.83 | J/mol×K | 653.28 | Joback Calculated Property |
| Cp,gas | 435.11 | J/mol×K | 688.45 | Joback Calculated Property |
| Cp,gas | 447.61 | J/mol×K | 723.61 | Joback Calculated Property |
| Cp,gas | 459.38 | J/mol×K | 758.77 | Joback Calculated Property |
| η | [0.0001865; 0.0023617] | Pa×s | [291.38; 547.79] |
|
| η | 0.0023617 | Pa×s | 291.38 | Joback Calculated Property |
| η | 0.0011802 | Pa×s | 334.12 | Joback Calculated Property |
| η | 0.0006902 | Pa×s | 376.85 | Joback Calculated Property |
| η | 0.0004503 | Pa×s | 419.58 | Joback Calculated Property |
| η | 0.0003179 | Pa×s | 462.32 | Joback Calculated Property |
| η | 0.0002380 | Pa×s | 505.05 | Joback Calculated Property |
| η | 0.0001865 | Pa×s | 547.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2-(1-chlorobutyl)-1,4-dimethyl.
Sources
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