- InChI
- InChI=1S/C12H17Cl/c1-10-6-7-11(2)12(9-10)5-3-4-8-13/h6-7,9H,3-5,8H2,1-2H3
- InChI Key
- HREQIFZHXURJBY-UHFFFAOYSA-N
- Formula
- C12H17Cl
- SMILES
- Cc1ccc(C)c(CCCCCl)c1
- 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° | 131.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -93.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.29 | kJ/mol | Joback Calculated Property |
| log10WS | -4.22 | Crippen Calculated Property | |
| logPoct/wat | 3.865 | Crippen Calculated Property | |
| McVol | 168.420 | ml/mol | McGowan Calculated Property |
| Pc | 2254.67 | kPa | Joback Calculated Property |
| Inp | [1490.00; 1490.00] |
|
|
| Inp | 1490.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Tboil | 548.03 | K | Joback Calculated Property |
| Tc | 754.46 | K | Joback Calculated Property |
| Tfus | 306.38 | K | Joback Calculated Property |
| Vc | 0.648 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [376.70; 457.23] | J/mol×K | [548.03; 754.46] |
|
| Cp,gas | 376.70 | J/mol×K | 548.03 | Joback Calculated Property |
| Cp,gas | 392.06 | J/mol×K | 582.44 | Joback Calculated Property |
| Cp,gas | 406.60 | J/mol×K | 616.84 | Joback Calculated Property |
| Cp,gas | 420.36 | J/mol×K | 651.25 | Joback Calculated Property |
| Cp,gas | 433.37 | J/mol×K | 685.65 | Joback Calculated Property |
| Cp,gas | 445.65 | J/mol×K | 720.06 | Joback Calculated Property |
| Cp,gas | 457.23 | J/mol×K | 754.46 | Joback Calculated Property |
| η | [0.0001988; 0.0018302] | Pa×s | [306.38; 548.03] |
|
| η | 0.0018302 | Pa×s | 306.38 | Joback Calculated Property |
| η | 0.0010196 | Pa×s | 346.65 | Joback Calculated Property |
| η | 0.0006416 | Pa×s | 386.93 | Joback Calculated Property |
| η | 0.0004406 | Pa×s | 427.20 | Joback Calculated Property |
| η | 0.0003228 | Pa×s | 467.48 | Joback Calculated Property |
| η | 0.0002485 | Pa×s | 507.75 | Joback Calculated Property |
| η | 0.0001988 | Pa×s | 548.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2-(4-chlorobutyl)-1,4-dimethyl.
Sources
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