- InChI
- InChI=1S/C8H9Cl/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3
- InChI Key
- HNQLMBJUMVLFCF-UHFFFAOYSA-N
- Formula
- C8H9Cl
- SMILES
- Cc1ccc(Cl)cc1C
- Molecular Weight1
- 140.61
- CAS
- 615-60-1
- Other Names
-
- 1-Chloro-3,4-dimethylbenzene
- 4-Chloro-1,2-dimethylbenzene
- 4-Chloro-o-xylene
- 4-Chloro-ortho-xylene
- o-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 | 0.3458 | Relay (1.0) Calculated Property | |
| ΔfG° | 97.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -8.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.68 | 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 | [1073.00; 1084.00] |
|
|
| Inp | 1084.00 | NIST | |
| Inp | 1075.00 | NIST | |
| Inp | 1073.00 | NIST | |
| Tboil | 495.20 | K | NIST |
| Tc | 682.52 | K | Relay (1.0) Calculated Property |
| Tfus | 267.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.416 | 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 | [0.0014831; 0.0002214] | Pa×s | [267.15; 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 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 267.15 | |||
| Temperature range, max. | 473.48 | |||
| η | 0.0014831 | Pa×s | 267.15 | Calculated Property |
| η | 0.0010504 | Pa×s | 290.08 | Calculated Property |
| η | 0.0007825 | Pa×s | 313.00 | Calculated Property |
| η | 0.0006069 | Pa×s | 335.93 | Calculated Property |
| η | 0.0004862 | Pa×s | 358.85 | Calculated Property |
| η | 0.0004000 | Pa×s | 381.78 | Calculated Property |
| η | 0.0003365 | Pa×s | 404.70 | Calculated Property |
| η | 0.0002883 | Pa×s | 427.63 | Calculated Property |
| η | 0.0002510 | Pa×s | 450.56 | Calculated Property |
| η | 0.0002214 | Pa×s | 473.48 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [343.72; 536.59] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.24147e+01 | |||
| Coefficient B | -3.30710e+03 | |||
| Coefficient C | -7.10180e+01 | |||
| Temperature range, min. | 343.72 | |||
| Temperature range, max. | 536.59 | |||
| Pvap | 1.33 | kPa | 343.72 | Calculated Property |
| Pvap | 3.23 | kPa | 365.15 | Calculated Property |
| Pvap | 6.92 | kPa | 386.58 | Calculated Property |
| Pvap | 13.48 | kPa | 408.01 | Calculated Property |
| Pvap | 24.24 | kPa | 429.44 | Calculated Property |
| Pvap | 40.79 | kPa | 450.87 | Calculated Property |
| Pvap | 64.94 | kPa | 472.30 | Calculated Property |
| Pvap | 98.61 | kPa | 493.73 | Calculated Property |
| Pvap | 143.84 | kPa | 515.16 | Calculated Property |
| Pvap | 202.64 | kPa | 536.59 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 4-chloro-1,2-dimethyl-.
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
- The Yaws Handbook of Vapor Pressure
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