- InChI
- InChI=1S/C11H16/c1-8(2)11-7-5-6-9(3)10(11)4/h5-8H,1-4H3
- InChI Key
- GDEQPEBFOWYWSA-UHFFFAOYSA-N
- Formula
- C11H16
- SMILES
- Cc1cccc(C(C)C)c1C
- Molecular Weight1
- 148.24
- CAS
- 22539-65-7
- Other Names
-
- 1,2-Dimethyl-3-isopropylbenzene
- Benzene, 1,2-dimethyl-3-(1-methylethyl)-
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | 132.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -62.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.29 | kJ/mol | Joback Calculated Property |
| log10WS | -3.61 | Crippen Calculated Property | |
| logPoct/wat | 3.427 | Crippen Calculated Property | |
| McVol | 142.090 | ml/mol | McGowan Calculated Property |
| Pc | 2589.85 | kPa | Joback Calculated Property |
| Inp | 1134.00 | NIST | |
| I | [1440.00; 1496.00] |
|
|
| I | 1454.00 | NIST | |
| I | 1454.00 | NIST | |
| I | 1467.00 | NIST | |
| I | 1481.00 | NIST | |
| I | 1496.00 | NIST | |
| I | 1440.00 | NIST | |
| I | 1454.00 | NIST | |
| I | 1440.00 | NIST | |
| Tboil | 477.70 ± 1.00 | K | NIST |
| Tc | 696.41 | K | Joback Calculated Property |
| Tfus | 250.19 | K | Joback Calculated Property |
| Vc | 0.537 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.65; 384.36] | J/mol×K | [487.28; 696.41] |
|
| Cp,gas | 301.65 | J/mol×K | 487.28 | Joback Calculated Property |
| Cp,gas | 317.34 | J/mol×K | 522.13 | Joback Calculated Property |
| Cp,gas | 332.23 | J/mol×K | 556.99 | Joback Calculated Property |
| Cp,gas | 346.36 | J/mol×K | 591.84 | Joback Calculated Property |
| Cp,gas | 359.74 | J/mol×K | 626.70 | Joback Calculated Property |
| Cp,gas | 372.40 | J/mol×K | 661.55 | Joback Calculated Property |
| Cp,gas | 384.36 | J/mol×K | 696.41 | Joback Calculated Property |
| η | [0.0001909; 0.0024629] | Pa×s | [250.19; 487.28] |
|
| η | 0.0024629 | Pa×s | 250.19 | Joback Calculated Property |
| η | 0.0012026 | Pa×s | 289.70 | Joback Calculated Property |
| η | 0.0006975 | Pa×s | 329.22 | Joback Calculated Property |
| η | 0.0004546 | Pa×s | 368.74 | Joback Calculated Property |
| η | 0.0003219 | Pa×s | 408.25 | Joback Calculated Property |
| η | 0.0002423 | Pa×s | 447.76 | Joback Calculated Property |
| η | 0.0001909 | Pa×s | 487.28 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [350.79; 506.98] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42580e+01 | |||
| Coefficient B | -3.88582e+03 | |||
| Coefficient C | -7.26440e+01 | |||
| Temperature range, min. | 350.79 | |||
| Temperature range, max. | 506.98 | |||
| Pvap | 1.33 | kPa | 350.79 | Calculated Property |
| Pvap | 3.03 | kPa | 368.14 | Calculated Property |
| Pvap | 6.28 | kPa | 385.50 | Calculated Property |
| Pvap | 12.06 | kPa | 402.85 | Calculated Property |
| Pvap | 21.71 | kPa | 420.21 | Calculated Property |
| Pvap | 36.95 | kPa | 437.56 | Calculated Property |
| Pvap | 59.92 | kPa | 454.92 | Calculated Property |
| Pvap | 93.17 | kPa | 472.27 | Calculated Property |
| Pvap | 139.64 | kPa | 489.63 | Calculated Property |
| Pvap | 202.64 | kPa | 506.98 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Isopropyl-2,3-dimethylbenzene.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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