- InChI
- InChI=1S/C12H17Cl/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h6H2,1-5H3
- InChI Key
- CXUAEBDTJFKMBV-UHFFFAOYSA-N
- Formula
- C12H17Cl
- SMILES
- Cc1c(C)c(C)c(CCl)c(C)c1C
- Molecular Weight1
- 196.72
- CAS
- 484-65-1
- Other Names
-
- (Chloromethyl)pentamethylbenzene
- 2,3,4,5,6-Pentamethylbenzyl chloride
- Pentamethyl(chloromethyl)benzene
- Pentamethylbenzyl chloride
- 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).
- 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° | 102.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -127.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.28 | kJ/mol | Joback Calculated Property |
| log10WS | -4.88 | Crippen Calculated Property | |
| logPoct/wat | 3.967 | Crippen Calculated Property | |
| McVol | 168.420 | ml/mol | McGowan Calculated Property |
| Pc | 2161.32 | kPa | Joback Calculated Property |
| Tboil | 562.97 | K | Joback Calculated Property |
| Tc | 772.55 | K | Joback Calculated Property |
| Tfus | 343.94 | K | Joback Calculated Property |
| Vc | 0.648 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [376.32; 453.68] | J/mol×K | [562.97; 772.55] | 
|
| Cp,gas | 376.32 | J/mol×K | 562.97 | Joback Calculated Property |
| Cp,gas | 390.83 | J/mol×K | 597.90 | Joback Calculated Property |
| Cp,gas | 404.68 | J/mol×K | 632.83 | Joback Calculated Property |
| Cp,gas | 417.88 | J/mol×K | 667.76 | Joback Calculated Property |
| Cp,gas | 430.44 | J/mol×K | 702.69 | Joback Calculated Property |
| Cp,gas | 442.37 | J/mol×K | 737.62 | Joback Calculated Property |
| Cp,gas | 453.68 | J/mol×K | 772.55 | Joback Calculated Property |
| η | [0.0001861; 0.0008953] | Pa×s | [343.94; 562.97] |
|
| η | 0.0008953 | Pa×s | 343.94 | Joback Calculated Property |
| η | 0.0006077 | Pa×s | 380.44 | Joback Calculated Property |
| η | 0.0004415 | Pa×s | 416.95 | Joback Calculated Property |
| η | 0.0003376 | Pa×s | 453.46 | Joback Calculated Property |
| η | 0.0002688 | Pa×s | 489.96 | Joback Calculated Property |
| η | 0.0002208 | Pa×s | 526.47 | Joback Calculated Property |
| η | 0.0001861 | Pa×s | 562.97 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [378.00; 605.71] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.18215e+01 | |||
| Coefficient B | -3.40331e+03 | |||
| Coefficient C | -8.29300e+01 | |||
| Temperature range, min. | 378.00 | |||
| Temperature range, max. | 605.71 | |||
| Pvap | 1.33 | kPa | 378.00 | Calculated Property |
| Pvap | 3.32 | kPa | 403.30 | Calculated Property |
| Pvap | 7.21 | kPa | 428.60 | Calculated Property |
| Pvap | 14.12 | kPa | 453.90 | Calculated Property |
| Pvap | 25.36 | kPa | 479.20 | Calculated Property |
| Pvap | 42.46 | kPa | 504.51 | Calculated Property |
| Pvap | 67.07 | kPa | 529.81 | Calculated Property |
| Pvap | 100.87 | kPa | 555.11 | Calculated Property |
| Pvap | 145.53 | kPa | 580.41 | Calculated Property |
| Pvap | 202.65 | kPa | 605.71 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (chloromethyl)pentamethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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