- InChI
- InChI=1S/C14H21Cl/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,1-6H3
- InChI Key
- UMPNQCBQSXTKID-UHFFFAOYSA-N
- Formula
- C14H21Cl
- SMILES
- CC(C)(C)c1cc(Cl)cc(C(C)(C)C)c1
- Molecular Weight1
- 224.77
- CAS
- 80438-67-1
- Other Names
-
- 3,5-Di-tert-butyl chlorobenzene
- 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).
- 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).
- 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).
- Pvap : Vapor pressure (kPa).
- 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° | 153.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -151.94 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -229.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 14.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.15 | kJ/mol | Joback Calculated Property |
| log10WS | -4.78 | Crippen Calculated Property | |
| logPoct/wat | 4.935 | Crippen Calculated Property | |
| McVol | 196.600 | ml/mol | McGowan Calculated Property |
| Pc | 1957.87 | kPa | Joback Calculated Property |
| Tboil | 587.33 | K | Joback Calculated Property |
| Tc | 812.50 | K | Joback Calculated Property |
| Tfus | 333.76 | K | Joback Calculated Property |
| Vc | 0.739 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [480.72; 574.60] | J/mol×K | [587.33; 812.50] | 
|
| Cp,gas | 480.72 | J/mol×K | 587.33 | Joback Calculated Property |
| Cp,gas | 499.35 | J/mol×K | 624.86 | Joback Calculated Property |
| Cp,gas | 516.67 | J/mol×K | 662.39 | Joback Calculated Property |
| Cp,gas | 532.77 | J/mol×K | 699.92 | Joback Calculated Property |
| Cp,gas | 547.73 | J/mol×K | 737.45 | Joback Calculated Property |
| Cp,gas | 561.64 | J/mol×K | 774.98 | Joback Calculated Property |
| Cp,gas | 574.60 | J/mol×K | 812.50 | Joback Calculated Property |
| η | [0.0001357; 0.0023734] | Pa×s | [333.76; 587.33] |
|
| η | 0.0023734 | Pa×s | 333.76 | Joback Calculated Property |
| η | 0.0011269 | Pa×s | 376.02 | Joback Calculated Property |
| η | 0.0006219 | Pa×s | 418.28 | Joback Calculated Property |
| η | 0.0003828 | Pa×s | 460.54 | Joback Calculated Property |
| η | 0.0002557 | Pa×s | 502.81 | Joback Calculated Property |
| η | 0.0001818 | Pa×s | 545.07 | Joback Calculated Property |
| η | 0.0001357 | Pa×s | 587.33 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [394.00; 654.91] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.11942e+01 | |||
| Coefficient B | -3.33206e+03 | |||
| Coefficient C | -8.84900e+01 | |||
| Temperature range, min. | 394.00 | |||
| Temperature range, max. | 654.91 | |||
| Pvap | 1.33 | kPa | 394.00 | Calculated Property |
| Pvap | 3.43 | kPa | 422.99 | Calculated Property |
| Pvap | 7.59 | kPa | 451.98 | Calculated Property |
| Pvap | 14.95 | kPa | 480.97 | Calculated Property |
| Pvap | 26.80 | kPa | 509.96 | Calculated Property |
| Pvap | 44.57 | kPa | 538.95 | Calculated Property |
| Pvap | 69.71 | kPa | 567.94 | Calculated Property |
| Pvap | 103.61 | kPa | 596.93 | Calculated Property |
| Pvap | 147.55 | kPa | 625.92 | Calculated Property |
| Pvap | 202.65 | kPa | 654.91 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-3,5-bis(1,1-dimethylethyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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