- InChI
- InChI=1S/C9H11Cl/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,6H2,1-2H3
- InChI Key
- UBQRAAXAHIKWRI-UHFFFAOYSA-N
- Formula
- C9H11Cl
- SMILES
- Cc1ccc(CCl)cc1C
- Molecular Weight1
- 154.64
- CAS
- 102-46-5
- Other Names
-
- 1,2-Dimethyl-4-(chloromethyl)benzene
- 3,4-Dimethylbenzyl chloride
- 4-(chloromethyl)-o-xylene
- Benzene, 1-(chloromethyl)-3,4-dimethyl-
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 106.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -31.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.61 | kJ/mol | Joback Calculated Property |
| log10WS | -3.46 | Crippen Calculated Property | |
| logPoct/wat | 3.042 | Crippen Calculated Property | |
| McVol | 126.150 | ml/mol | McGowan Calculated Property |
| Pc | 3025.61 | kPa | Joback Calculated Property |
| Inp | [1200.00; 1233.00] |
|
|
| Inp | 1233.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Tboil | 479.39 | K | Joback Calculated Property |
| Tc | 695.70 | K | Joback Calculated Property |
| Tfus | 272.57 | K | Joback Calculated Property |
| Vc | 0.480 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.19; 308.45] | J/mol×K | [479.39; 695.70] |
|
| Cp,gas | 243.19 | J/mol×K | 479.39 | Joback Calculated Property |
| Cp,gas | 255.67 | J/mol×K | 515.44 | Joback Calculated Property |
| Cp,gas | 267.48 | J/mol×K | 551.49 | Joback Calculated Property |
| Cp,gas | 278.64 | J/mol×K | 587.55 | Joback Calculated Property |
| Cp,gas | 289.18 | J/mol×K | 623.60 | Joback Calculated Property |
| Cp,gas | 299.10 | J/mol×K | 659.65 | Joback Calculated Property |
| Cp,gas | 308.45 | J/mol×K | 695.70 | Joback Calculated Property |
| η | [0.0002356; 0.0017313] | Pa×s | [272.57; 479.39] |
|
| η | 0.0017313 | Pa×s | 272.57 | Joback Calculated Property |
| η | 0.0010303 | Pa×s | 307.04 | Joback Calculated Property |
| η | 0.0006809 | Pa×s | 341.51 | Joback Calculated Property |
| η | 0.0004855 | Pa×s | 375.98 | Joback Calculated Property |
| η | 0.0003664 | Pa×s | 410.45 | Joback Calculated Property |
| η | 0.0002888 | Pa×s | 444.92 | Joback Calculated Property |
| η | 0.0002356 | Pa×s | 479.39 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 389.70 | K | 3.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [355.57; 521.02] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38272e+01 | |||
| Coefficient B | -3.79701e+03 | |||
| Coefficient C | -7.51370e+01 | |||
| Temperature range, min. | 355.57 | |||
| Temperature range, max. | 521.02 | |||
| Pvap | 1.33 | kPa | 355.57 | Calculated Property |
| Pvap | 3.07 | kPa | 373.95 | Calculated Property |
| Pvap | 6.40 | kPa | 392.34 | Calculated Property |
| Pvap | 12.34 | kPa | 410.72 | Calculated Property |
| Pvap | 22.20 | kPa | 429.10 | Calculated Property |
| Pvap | 37.71 | kPa | 447.49 | Calculated Property |
| Pvap | 60.92 | kPa | 465.87 | Calculated Property |
| Pvap | 94.28 | kPa | 484.25 | Calculated Property |
| Pvap | 140.52 | kPa | 502.64 | Calculated Property |
| Pvap | 202.66 | kPa | 521.02 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 4-(chloromethyl)-1,2-dimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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