- InChI
- InChI=1S/C8H9Cl/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3
- InChI Key
- UIEVCEQLNUHDIF-UHFFFAOYSA-N
- Formula
- C8H9Cl
- SMILES
- Cc1ccc(Cl)c(C)c1
- Molecular Weight1
- 140.61
- CAS
- 95-66-9
- Other Names
-
- 1-Chloro-2,4-dimethylbenzene
- 4-Chloro-m-xylene
- m-Xylene, 4-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).
- 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 | 0.3431 | Relay (1.0) Calculated Property | |
| ΔfG° | 97.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -19.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.957 | Crippen Calculated Property | |
| McVol | 112.060 | ml/mol | McGowan Calculated Property |
| Pc | 3372.36 | kPa | Joback Calculated Property |
| Inp | [1050.00; 1057.00] |
|
|
| Inp | 1057.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Tboil | 460.21 | K | Relay (1.0) Calculated Property |
| Tc | 680.30 | K | Relay (1.0) Calculated Property |
| Tfus | 263.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.419 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.44; 315.72] | 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 | 3.20000e+00 | |||
| Coefficient B | 5.72740e-01 | |||
| Coefficient C | -3.28920e-04 | |||
| Coefficient D | 6.87000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 136.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 167.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 195.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 220.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 242.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 261.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 278.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 292.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 305.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 315.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016353; 0.0002214] | Pa×s | [261.30; 473.48] |
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 | -1.08780e+01 | |||
| Coefficient B | 1.16594e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 261.30 | |||
| Temperature range, max. | 473.48 | |||
| η | 0.0016353 | Pa×s | 261.30 | Calculated Property |
| η | 0.0011304 | Pa×s | 284.88 | Calculated Property |
| η | 0.0008267 | Pa×s | 308.45 | Calculated Property |
| η | 0.0006321 | Pa×s | 332.03 | Calculated Property |
| η | 0.0005008 | Pa×s | 355.60 | Calculated Property |
| η | 0.0004085 | Pa×s | 379.18 | Calculated Property |
| η | 0.0003412 | Pa×s | 402.75 | Calculated Property |
| η | 0.0002907 | Pa×s | 426.33 | Calculated Property |
| η | 0.0002519 | Pa×s | 449.91 | Calculated Property |
| η | 0.0002214 | Pa×s | 473.48 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [335.72; 494.10] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37963e+01 | |||
| Coefficient B | -3.61333e+03 | |||
| Coefficient C | -6.82380e+01 | |||
| Temperature range, min. | 335.72 | |||
| Temperature range, max. | 494.10 | |||
| Pvap | 1.33 | kPa | 335.72 | Calculated Property |
| Pvap | 3.07 | kPa | 353.32 | Calculated Property |
| Pvap | 6.41 | kPa | 370.92 | Calculated Property |
| Pvap | 12.36 | kPa | 388.51 | Calculated Property |
| Pvap | 22.24 | kPa | 406.11 | Calculated Property |
| Pvap | 37.76 | kPa | 423.71 | Calculated Property |
| Pvap | 61.00 | kPa | 441.31 | Calculated Property |
| Pvap | 94.36 | kPa | 458.90 | Calculated Property |
| Pvap | 140.58 | kPa | 476.50 | Calculated Property |
| Pvap | 202.66 | kPa | 494.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-2,4-dimethyl-.
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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