- InChI
- InChI=1S/C10H13Cl/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,6H2,1-3H3
- InChI Key
- UNRGEIXQCZHICP-UHFFFAOYSA-N
- Formula
- C10H13Cl
- SMILES
- Cc1cc(C)c(CCl)c(C)c1
- Molecular Weight1
- 168.66
- CAS
- 1585-16-6
- Other Names
-
- (Chloromethyl)mesitylene
- 1,3,5-Trimethyl-2-(chloromethyl)benzene
- 1-Chloromethyl-2,4,6-trimethylbenzene
- 2,4,6-Trimethylbenzyl chloride
- ALPHA2-CHLOROISODURENE
- Mesitylmethyl chloride
- «alpha»2-Chloroisodurene
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4361 | Relay (1.0) Calculated Property | |
| ΔfG° | 104.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -75.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.351 | Crippen Calculated Property | |
| McVol | 140.240 | ml/mol | McGowan Calculated Property |
| Pc | 2687.42 | kPa | Joback Calculated Property |
| Inp | 1312.00 | NIST | |
| Tboil | 516.38 | K | Relay (1.0) Calculated Property |
| Tc | 732.99 | K | Relay (1.0) Calculated Property |
| Tfus | 313.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.506 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.42; 415.86] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.56810e+01 | |||
| Coefficient B | 7.03260e-01 | |||
| Coefficient C | -3.70680e-04 | |||
| Coefficient D | 6.76000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 181.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 221.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 256.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 288.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 317.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 342.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 365.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 384.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 401.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 415.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010710; 0.0002202] | Pa×s | [313.15; 505.21] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.10001e+01 | |||
| Coefficient B | 1.30300e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 313.15 | |||
| Temperature range, max. | 505.21 | |||
| η | 0.0010710 | Pa×s | 313.15 | Calculated Property |
| η | 0.0008213 | Pa×s | 334.49 | Calculated Property |
| η | 0.0006502 | Pa×s | 355.83 | Calculated Property |
| η | 0.0005285 | Pa×s | 377.17 | Calculated Property |
| η | 0.0004393 | Pa×s | 398.51 | Calculated Property |
| η | 0.0003720 | Pa×s | 419.85 | Calculated Property |
| η | 0.0003202 | Pa×s | 441.19 | Calculated Property |
| η | 0.0002794 | Pa×s | 462.53 | Calculated Property |
| η | 0.0002467 | Pa×s | 483.87 | Calculated Property |
| η | 0.0002202 | Pa×s | 505.21 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2-(chloromethyl)-1,3,5-trimethyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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