- InChI
- InChI=1S/C9H11Cl/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
- InChI Key
- WDZACGWEPQLKOM-UHFFFAOYSA-N
- Formula
- C9H11Cl
- SMILES
- Cc1cc(C)c(Cl)c(C)c1
- Molecular Weight1
- 154.64
- CAS
- 1667-04-5
- Other Names
-
- 1-Chloro-2,4,6-trimethylbenzene
- 2,4,6-Trimethylchlorobenzene
- 2,4,6-Trimethylmonochlorobenzene
- 2-Chloro-1,3,5-trimethylbenzene
- 2-Chloromesitylene
- Chloromesitylene
- Mesitylene, 2-chloro-
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3813 | Relay (1.0) Calculated Property | |
| ΔfG° | 96.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -47.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.265 | Crippen Calculated Property | |
| McVol | 126.150 | ml/mol | McGowan Calculated Property |
| Pc | 2976.29 | kPa | Joback Calculated Property |
| Inp | [1152.00; 1158.00] |
|
|
| Inp | 1158.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Tboil | 478.20 | K | NIST |
| Tc | 699.90 | K | Relay (1.0) Calculated Property |
| Tfus | 299.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.471 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 377.20 | K | 3.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [160.21; 364.27] | 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 | 1.65900e+01 | |||
| Coefficient B | 6.08260e-01 | |||
| Coefficient C | -3.16280e-04 | |||
| Coefficient D | 5.57000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 160.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 225.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 253.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 278.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 300.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 320.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 337.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 351.73 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 364.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012970; 0.0002185] | Pa×s | [285.09; 491.59] |
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 | -1.08879e+01 | |||
| Coefficient B | 1.20884e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 285.09 | |||
| Temperature range, max. | 491.59 | |||
| η | 0.0012970 | Pa×s | 285.09 | Calculated Property |
| η | 0.0009457 | Pa×s | 308.03 | Calculated Property |
| η | 0.0007205 | Pa×s | 330.98 | Calculated Property |
| η | 0.0005686 | Pa×s | 353.92 | Calculated Property |
| η | 0.0004618 | Pa×s | 376.87 | Calculated Property |
| η | 0.0003842 | Pa×s | 399.81 | Calculated Property |
| η | 0.0003260 | Pa×s | 422.76 | Calculated Property |
| η | 0.0002814 | Pa×s | 445.70 | Calculated Property |
| η | 0.0002464 | Pa×s | 468.65 | Calculated Property |
| η | 0.0002185 | Pa×s | 491.59 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [352.52; 509.67] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42131e+01 | |||
| Coefficient B | -3.87747e+03 | |||
| Coefficient C | -7.40760e+01 | |||
| Temperature range, min. | 352.52 | |||
| Temperature range, max. | 509.67 | |||
| Pvap | 1.33 | kPa | 352.52 | Calculated Property |
| Pvap | 3.03 | kPa | 369.98 | Calculated Property |
| Pvap | 6.29 | kPa | 387.44 | Calculated Property |
| Pvap | 12.09 | kPa | 404.90 | Calculated Property |
| Pvap | 21.76 | kPa | 422.36 | Calculated Property |
| Pvap | 37.03 | kPa | 439.83 | Calculated Property |
| Pvap | 60.02 | kPa | 457.29 | Calculated Property |
| Pvap | 93.28 | kPa | 474.75 | Calculated Property |
| Pvap | 139.74 | kPa | 492.21 | Calculated Property |
| Pvap | 202.66 | kPa | 509.67 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2-chloro-1,3,5-trimethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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