- 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
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 128.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -98.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.90 | kJ/mol | Joback Calculated Property |
| log10WS | -4.67 | Crippen 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 | 547.59 | K | Joback Calculated Property |
| Tc | 758.50 | K | Joback Calculated Property |
| Tfus | 291.38 | K | Joback Calculated Property |
| Vc | 0.642 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [377.01; 459.29] | J/mol×K | [547.59; 758.50] | 
|
| Cp,gas | 377.01 | J/mol×K | 547.59 | Joback Calculated Property |
| Cp,gas | 392.77 | J/mol×K | 582.74 | Joback Calculated Property |
| Cp,gas | 407.67 | J/mol×K | 617.89 | Joback Calculated Property |
| Cp,gas | 421.74 | J/mol×K | 653.04 | Joback Calculated Property |
| Cp,gas | 435.02 | J/mol×K | 688.19 | Joback Calculated Property |
| Cp,gas | 447.52 | J/mol×K | 723.34 | Joback Calculated Property |
| Cp,gas | 459.29 | J/mol×K | 758.50 | Joback Calculated Property |
| η | [0.0001867; 0.0023617] | Pa×s | [291.38; 547.59] |
|
| η | 0.0023617 | Pa×s | 291.38 | Joback Calculated Property |
| η | 0.0011807 | Pa×s | 334.08 | Joback Calculated Property |
| η | 0.0006907 | Pa×s | 376.78 | Joback Calculated Property |
| η | 0.0004507 | Pa×s | 419.49 | Joback Calculated Property |
| η | 0.0003182 | Pa×s | 462.19 | Joback Calculated Property |
| η | 0.0002383 | Pa×s | 504.89 | Joback Calculated Property |
| η | 0.0001867 | Pa×s | 547.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2-(1-chlorobutyl)-1,4-dimethyl.
Sources
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